 Entering Gaussian System, Link 0=g16
 Input=12_L-valine_conformer04_STD_M11_augccpVDZ.in
 Output=12_L-valine_conformer04_STD_M11_augccpVDZ.log
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
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            ****
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            ****
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            ****
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            ****
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            ****
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            ****
            -Mn     0
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                  1.349768D+05          -8.570592D-06
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                  6.554800D-02           5.755741D-01
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            S    20   1.00
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                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
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            S    1   1.00
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            ****
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                  5.188690D+01          -2.607900D-02
                  1.934190D+01          -1.082310D-01
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            ****
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                  8.715234D+05           6.647410D-05
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                  1.921470D-01           1.433224D-02
                  8.759500D-02          -6.671210D-03
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            S    20   1.00
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                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
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                  8.759500D-02          -5.693429D-01
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                  8.715234D+05          -4.336894D-06
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            P    16   1.00
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                  1.876862D+03           1.440000D-04
                  7.182361D+02           6.450000D-04
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            P    16   1.00
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                  1.747518D+00           3.609760D-01
                  6.995600D-01           2.716570D-01
                  2.516080D-01           1.049810D-01
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                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
                  4.133734D+00           3.862990D-01
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                  6.995600D-01          -5.388760D-01
                  2.516080D-01          -3.454730D-01
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                  1.461500D+00           7.546420D-01
            F    1   1.00
                  5.486100D-01           1.000000D+00
            ****
            -Ga     0
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                  7.271900D+04           1.604700D-03
                  1.655200D+04           8.340200D-03
                  4.687800D+03           3.402480D-02
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            S    14   1.00
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            S    14   1.00
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            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
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            ****
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            ****
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                  1.060579D+03           1.274240D-02
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                  1.289984D+02           2.085635D-01
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                  2.295942D+01           3.878103D-01
                  9.507300D+00           1.003820D-01
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                  1.750446D+00           2.713900D-03
                  5.291900D-01          -6.977000D-04
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            P    11   1.00
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                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
                  1.289984D+02          -9.158230D-02
                  5.308722D+01          -1.968164D-01
                  2.295942D+01          -1.634750D-01
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                  4.083055D+00           5.981592D-01
                  1.750446D+00           2.750453D-01
                  5.291900D-01           1.277060D-02
                  1.643690D-01          -1.013500D-03
            P    11   1.00
                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
                  1.289984D+02           2.482540D-02
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                  2.295942D+01           4.121320D-02
                  9.507300D+00          -8.760570D-02
                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
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            P    1   1.00
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            D    5   1.00
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                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
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            D    1   1.00
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            ****
            -Y     0
            S    7   1.00
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                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
                  0.7079710              0.7863790
                  0.3225670              0.4639580
                  0.0690850              0.0204860
            S    7   1.00
                 29.2935000             -0.0013580
                 16.6827000              0.0123920
                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
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            S    7   1.00
                 29.2935000              0.0112420
                 16.6827000             -0.0574010
                 10.4235000              0.1106480
                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
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            S    1   1.00
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            P    6   1.00
                  9.0271500              0.0203960
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                  0.4727970              0.4983480
                  0.2197340              0.1957420
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            P    6   1.00
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                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
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            P    6   1.00
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                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
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            P    1   1.00
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            D    5   1.00
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                  0.5614050              0.2962740
                  0.2267020              0.3908730
                  0.0879490              0.3539610
            D    5   1.00
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                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
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            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
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            S    7   1.00
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                 17.0981000              0.0096310
                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
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            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
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            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                  9.9011600              0.0214360
                  4.4181900             -0.1604130
                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
                  0.0847070              0.0104040
            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
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            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
                  0.2363630              0.1703870
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            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  1.5708900              0.1278490
                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
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                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
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            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
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            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
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            D    1   1.00
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            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
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            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
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            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
                  0.1005260              0.6128160
            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
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            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
                  0.0987360              0.0183780
            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
                  0.0987360              0.6329980
            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
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            D    1   1.00
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            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
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            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
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            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
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            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
                 21.9974000             -0.0402860
                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
                  6.6247600              0.1011250
                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
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            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
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            D    1   1.00
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            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
                 14.0509000             -0.0093130
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                  0.4340380             -0.3195670
                  0.1050310              0.6651050
            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/M11_augccpVDZ/Gau-49017.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/M11_augccpVDZ/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     49019.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                12-Aug-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=40GB
 %chk=12_L-valine_conformer04_STD_M11_augccpVDZ
 ----------------------------------------------------------------------
 #P M11/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA Gu
 ess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-64,75=-5,116=-2/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Thu Aug 12 20:58:08 2021, MaxMem=  5368709120 cpu:               1.2 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "12_L-valine_conformer04_STD_M11_augccpVDZ.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                 1.639760000000      0.584137000000      1.110557000000
  C                                                 1.310612000000      0.014006000000     -0.268656000000
  C                                                -0.108060000000      0.405959000000     -0.756755000000
  C                                                -1.184071000000     -0.188475000000      0.144559000000
  O                                                -1.578202000000     -1.419243000000     -0.255187000000
  C                                                 1.550309000000     -1.494532000000     -0.314629000000
  N                                                -0.225553000000      1.853842000000     -0.868439000000
  O                                                -1.649297000000      0.352803000000      1.115054000000
  H                                                -0.237834000000     -0.025399000000     -1.750522000000
  H                                                 1.972519000000      0.490983000000     -0.996628000000
  H                                                -2.240025000000     -1.728348000000      0.384417000000
  H                                                -1.052677000000      2.098260000000     -1.400434000000
  H                                                -0.352008000000      2.257550000000      0.053469000000
  H                                                 1.298171000000     -1.912990000000     -1.290687000000
  H                                                 2.600947000000     -1.711329000000     -0.114938000000
  H                                                 0.956373000000     -2.021608000000      0.434148000000
  H                                                 1.551693000000      1.670626000000      1.129751000000
  H                                                 0.982941000000      0.175809000000      1.881037000000
  H                                                 2.667461000000      0.334501000000      1.380071000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     19 NQM=       19 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          16          12          14          16           1           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  15.9949146  12.0000000  14.0030740  15.9949146   1.0078250   1.0078250
 NucSpn=           0           0           0           0           0           0           2           0           1           1
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   5.6000000   3.6000000   4.5500000   5.6000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.0440000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.4037610   0.0000000   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   8.0000000   6.0000000   7.0000000   8.0000000   1.0000000   1.0000000

  Atom        11          12          13          14          15          16          17          18          19
 IAtWgt=           1           1           1           1           1           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.088559
 Leave Link  101 at Thu Aug 12 20:58:09 2021, MaxMem=  5368709120 cpu:               1.1 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        1.639760    0.584137    1.110557
      2          6           0        1.310612    0.014006   -0.268656
      3          6           0       -0.108060    0.405959   -0.756755
      4          6           0       -1.184071   -0.188475    0.144559
      5          8           0       -1.578202   -1.419243   -0.255187
      6          6           0        1.550309   -1.494532   -0.314629
      7          7           0       -0.225553    1.853842   -0.868439
      8          8           0       -1.649297    0.352803    1.115054
      9          1           0       -0.237834   -0.025399   -1.750522
     10          1           0        1.972519    0.490983   -0.996628
     11          1           0       -2.240025   -1.728348    0.384417
     12          1           0       -1.052677    2.098260   -1.400434
     13          1           0       -0.352008    2.257550    0.053469
     14          1           0        1.298171   -1.912990   -1.290687
     15          1           0        2.600947   -1.711329   -0.114938
     16          1           0        0.956373   -2.021608    0.434148
     17          1           0        1.551693    1.670626    1.129751
     18          1           0        0.982941    0.175809    1.881037
     19          1           0        2.667461    0.334501    1.380071
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.528272   0.000000
     3  C    2.563879   1.550644   0.000000
     4  C    3.082873   2.536767   1.524309   0.000000
     5  O    4.029152   3.224846   2.396717   1.352748   0.000000
     6  C    2.521908   1.528154   2.560767   3.064877   3.129981
     7  N    3.001328   2.470737   1.456929   2.473051   3.594276
     8  O    3.297185   3.284889   2.425264   1.204690   2.241152
     9  H    3.476013   2.143634   1.091093   2.124451   2.444466
    10  H    2.135330   1.093422   2.096086   3.424621   4.099551
    11  H    4.574669   4.008656   3.225339   1.882493   0.970901
    12  H    3.980812   3.348159   2.042182   2.762865   3.736388
    13  H    2.808004   2.810971   2.035771   2.585278   3.888139
    14  H    3.481135   2.181288   2.764072   3.345954   3.096703
    15  H    2.773965   2.159948   3.497650   4.088127   4.191691
    16  H    2.777491   2.182463   2.905916   2.832974   2.694828
    17  H    1.090221   2.181296   2.813018   3.451270   4.611029
    18  H    1.091688   2.180534   2.863774   2.800714   3.696904
    19  H    1.091387   2.159180   3.503519   4.078516   4.875996
                    6          7          8          9         10
     6  C    0.000000
     7  N    3.830405   0.000000
     8  O    3.961580   2.866079   0.000000
     9  H    2.723526   2.075998   3.216643   0.000000
    10  H    2.141414   2.589467   4.194740   2.391792   0.000000
    11  H    3.861343   4.296491   2.283414   3.386262   4.957645
    12  H    4.567566   1.013357   3.119336   2.301404   3.449378
    13  H    4.222846   1.014340   2.537318   2.911920   3.102723
    14  H    1.091499   4.085224   4.428202   2.476643   2.514021
    15  H    1.091200   4.611649   4.882427   3.684586   2.454074
    16  H    1.091438   4.255913   3.590401   3.191201   3.064765
    17  H    3.479147   2.680473   3.461677   3.791422   2.467821
    18  H    2.816539   3.440330   2.747132   3.836535   3.059339
    19  H    2.732288   3.966576   4.324924   4.286126   2.481155
                   11         12         13         14         15
    11  H    0.000000
    12  H    4.386162   0.000000
    13  H    4.422840   1.621772   0.000000
    14  H    3.919043   4.650662   4.682227   0.000000
    15  H    4.866688   5.432719   4.949778   1.766431   0.000000
    16  H    3.210208   4.937133   4.490876   1.761726   1.761361
    17  H    5.146423   3.656152   2.264275   4.331870   3.753372
    18  H    4.031525   4.313654   3.075019   3.810812   3.187969
    19  H    5.415726   4.968046   3.817746   3.749549   2.534738
                   16         17         18         19
    16  H    0.000000
    17  H    3.804059   0.000000
    18  H    2.631128   1.767028   0.000000
    19  H    3.061673   1.758644   1.764584   0.000000
 Stoichiometry    C5H11NO2
 Framework group  C1[X(C5H11NO2)]
 Deg. of freedom    51
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 3.18D-15
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        1.639760    0.584137    1.110557
      2          6           0        1.310612    0.014006   -0.268656
      3          6           0       -0.108060    0.405959   -0.756755
      4          6           0       -1.184071   -0.188475    0.144559
      5          8           0       -1.578202   -1.419243   -0.255187
      6          6           0        1.550309   -1.494532   -0.314629
      7          7           0       -0.225553    1.853842   -0.868439
      8          8           0       -1.649297    0.352803    1.115054
      9          1           0       -0.237834   -0.025399   -1.750522
     10          1           0        1.972519    0.490983   -0.996628
     11          1           0       -2.240025   -1.728348    0.384417
     12          1           0       -1.052677    2.098260   -1.400434
     13          1           0       -0.352008    2.257550    0.053469
     14          1           0        1.298171   -1.912990   -1.290687
     15          1           0        2.600947   -1.711329   -0.114938
     16          1           0        0.956373   -2.021608    0.434148
     17          1           0        1.551693    1.670626    1.129751
     18          1           0        0.982941    0.175809    1.881037
     19          1           0        2.667461    0.334501    1.380071
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           2.3816096           1.7859734           1.4243546
 Leave Link  202 at Thu Aug 12 20:58:09 2021, MaxMem=  5368709120 cpu:               0.2 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       9     10     11     12     13     14     15     16     17     18
 Centers:      19
 S 4 1.00
     Exponent=  1.3010000000D+01 Coefficients=  1.9685000000D-02
     Exponent=  1.9620000000D+00 Coefficients=  1.3797700000D-01
     Exponent=  4.4460000000D-01 Coefficients=  4.7814800000D-01
     Exponent=  1.2200000000D-01 Coefficients=  5.0124000000D-01
 S 1 1.00
     Exponent=  1.2200000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.9740000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  7.2700000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      6
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients=  6.9200000000D-04
     Exponent=  1.0000000000D+03 Coefficients=  5.3290000000D-03
     Exponent=  2.2800000000D+02 Coefficients=  2.7077000000D-02
     Exponent=  6.4710000000D+01 Coefficients=  1.0171800000D-01
     Exponent=  2.1060000000D+01 Coefficients=  2.7474000000D-01
     Exponent=  7.4950000000D+00 Coefficients=  4.4856400000D-01
     Exponent=  2.7970000000D+00 Coefficients=  2.8507400000D-01
     Exponent=  5.2150000000D-01 Coefficients=  1.5204000000D-02
     Exponent=  1.5960000000D-01 Coefficients= -3.1910000000D-03
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients= -1.4600000000D-04
     Exponent=  1.0000000000D+03 Coefficients= -1.1540000000D-03
     Exponent=  2.2800000000D+02 Coefficients= -5.7250000000D-03
     Exponent=  6.4710000000D+01 Coefficients= -2.3312000000D-02
     Exponent=  2.1060000000D+01 Coefficients= -6.3955000000D-02
     Exponent=  7.4950000000D+00 Coefficients= -1.4998100000D-01
     Exponent=  2.7970000000D+00 Coefficients= -1.2726200000D-01
     Exponent=  5.2150000000D-01 Coefficients=  5.4452900000D-01
     Exponent=  1.5960000000D-01 Coefficients=  5.8049600000D-01
 S 1 1.00
     Exponent=  1.5960000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6900000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  9.4390000000D+00 Coefficients=  3.8109000000D-02
     Exponent=  2.0020000000D+00 Coefficients=  2.0948000000D-01
     Exponent=  5.4560000000D-01 Coefficients=  5.0855700000D-01
     Exponent=  1.5170000000D-01 Coefficients=  4.6884200000D-01
 P 1 1.00
     Exponent=  1.5170000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.0410000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       7
 S 9 1.00
     Exponent=  9.0460000000D+03 Coefficients=  7.0000000000D-04
     Exponent=  1.3570000000D+03 Coefficients=  5.3890000000D-03
     Exponent=  3.0930000000D+02 Coefficients=  2.7406000000D-02
     Exponent=  8.7730000000D+01 Coefficients=  1.0320700000D-01
     Exponent=  2.8560000000D+01 Coefficients=  2.7872300000D-01
     Exponent=  1.0210000000D+01 Coefficients=  4.4854000000D-01
     Exponent=  3.8380000000D+00 Coefficients=  2.7823800000D-01
     Exponent=  7.4660000000D-01 Coefficients=  1.5440000000D-02
     Exponent=  2.2480000000D-01 Coefficients= -2.8640000000D-03
 S 9 1.00
     Exponent=  9.0460000000D+03 Coefficients= -1.5300000000D-04
     Exponent=  1.3570000000D+03 Coefficients= -1.2080000000D-03
     Exponent=  3.0930000000D+02 Coefficients= -5.9920000000D-03
     Exponent=  8.7730000000D+01 Coefficients= -2.4544000000D-02
     Exponent=  2.8560000000D+01 Coefficients= -6.7459000000D-02
     Exponent=  1.0210000000D+01 Coefficients= -1.5807800000D-01
     Exponent=  3.8380000000D+00 Coefficients= -1.2183100000D-01
     Exponent=  7.4660000000D-01 Coefficients=  5.4900300000D-01
     Exponent=  2.2480000000D-01 Coefficients=  5.7881500000D-01
 S 1 1.00
     Exponent=  2.2480000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.1240000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.3550000000D+01 Coefficients=  3.9919000000D-02
     Exponent=  2.9170000000D+00 Coefficients=  2.1716900000D-01
     Exponent=  7.9730000000D-01 Coefficients=  5.1031900000D-01
     Exponent=  2.1850000000D-01 Coefficients=  4.6221400000D-01
 P 1 1.00
     Exponent=  2.1850000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  5.6110000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.1700000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  2.3000000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       5      8
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients=  7.1000000000D-04
     Exponent=  1.7590000000D+03 Coefficients=  5.4700000000D-03
     Exponent=  4.0080000000D+02 Coefficients=  2.7837000000D-02
     Exponent=  1.1370000000D+02 Coefficients=  1.0480000000D-01
     Exponent=  3.7030000000D+01 Coefficients=  2.8306200000D-01
     Exponent=  1.3270000000D+01 Coefficients=  4.4871900000D-01
     Exponent=  5.0250000000D+00 Coefficients=  2.7095200000D-01
     Exponent=  1.0130000000D+00 Coefficients=  1.5458000000D-02
     Exponent=  3.0230000000D-01 Coefficients= -2.5850000000D-03
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients= -1.6000000000D-04
     Exponent=  1.7590000000D+03 Coefficients= -1.2630000000D-03
     Exponent=  4.0080000000D+02 Coefficients= -6.2670000000D-03
     Exponent=  1.1370000000D+02 Coefficients= -2.5716000000D-02
     Exponent=  3.7030000000D+01 Coefficients= -7.0924000000D-02
     Exponent=  1.3270000000D+01 Coefficients= -1.6541100000D-01
     Exponent=  5.0250000000D+00 Coefficients= -1.1695500000D-01
     Exponent=  1.0130000000D+00 Coefficients=  5.5736800000D-01
     Exponent=  3.0230000000D-01 Coefficients=  5.7275900000D-01
 S 1 1.00
     Exponent=  3.0230000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.8960000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.7700000000D+01 Coefficients=  4.3018000000D-02
     Exponent=  3.8540000000D+00 Coefficients=  2.2891300000D-01
     Exponent=  1.0460000000D+00 Coefficients=  5.0872800000D-01
     Exponent=  2.7530000000D-01 Coefficients=  4.6053100000D-01
 P 1 1.00
     Exponent=  2.7530000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.8560000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1850000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  3.3200000000D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  24 primitive shells out of 312 were deleted.
 There are   299 symmetry adapted cartesian basis functions of A   symmetry.
 There are   283 symmetry adapted basis functions of A   symmetry.
   283 basis functions,   508 primitive gaussians,   299 cartesian basis functions
    32 alpha electrons       32 beta electrons
       nuclear repulsion energy       411.0480391764 Hartrees.
 IExCor= 5042 DFT=T Ex+Corr=M11 ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=  4
 HFx  wShort=  0.000000 wLong=  0.250000 cFull=  0.428000 cShort=  0.000000 cLong=  0.572000
 DFx  wShort=  0.000000 wLong=  0.250000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   19 NActive=   19 NUniq=   19 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 Leave Link  301 at Thu Aug 12 20:58:12 2021, MaxMem=  5368709120 cpu:              17.0 elap:               2.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   283 RedAO= T EigKep=  7.40D-06  NBF=   283
 NBsUse=   283 1.00D-06 EigRej= -1.00D+00 NBFU=   283
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   299   299   299   299   299 MxSgAt=    19 MxSgA2=    19.
 Leave Link  302 at Thu Aug 12 20:58:13 2021, MaxMem=  5368709120 cpu:               4.1 elap:               0.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Thu Aug 12 20:58:13 2021, MaxMem=  5368709120 cpu:               0.8 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "12_L-valine_conformer04_STD_M11_augccpVDZ.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=     0.000000   -0.000000    0.000000
         Rot=    1.000000   -0.000000   -0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Thu Aug 12 20:58:14 2021, MaxMem=  5368709120 cpu:               3.5 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5368709120 LenX=  5368524961 LenY=  5368435119
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -402.208700408528    
 DIIS: error= 3.41D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -402.208700408528     IErMin= 1 ErrMin= 3.41D-03
 ErrMax= 3.41D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.25D-02 BMatP= 1.25D-02
 IDIUse=3 WtCom= 9.66D-01 WtEn= 3.41D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.444 Goal=   None    Shift=    0.000
 GapD=    0.444 DampG=2.000 DampE=1.000 DampFc=2.0000 IDamp=-1.
 RMSDP=1.52D-02 MaxDP=1.61D+00              OVMax= 2.15D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  1.50D-02    CP:  1.09D+00
 E= -402.220632659163     Delta-E=       -0.011932250635 Rises=F Damp=F
 DIIS: error= 7.69D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -402.220632659163     IErMin= 2 ErrMin= 7.69D-04
 ErrMax= 7.69D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.26D-04 BMatP= 1.25D-02
 IDIUse=3 WtCom= 9.92D-01 WtEn= 7.69D-03
 Coeff-Com:  0.518D-03 0.999D+00
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:      0.514D-03 0.999D+00
 Gap=     0.353 Goal=   None    Shift=    0.000
 RMSDP=2.90D-03 MaxDP=3.91D-01 DE=-1.19D-02 OVMax= 7.70D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  1.23D-03    CP:  1.12D+00  1.17D+00
 E= -402.220969862700     Delta-E=       -0.000337203537 Rises=F Damp=F
 DIIS: error= 7.63D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -402.220969862700     IErMin= 3 ErrMin= 7.63D-04
 ErrMax= 7.63D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.72D-04 BMatP= 6.26D-04
 IDIUse=3 WtCom= 9.92D-01 WtEn= 7.63D-03
 Coeff-Com: -0.509D-01 0.510D+00 0.541D+00
 Coeff-En:   0.000D+00 0.217D+00 0.783D+00
 Coeff:     -0.505D-01 0.508D+00 0.542D+00
 Gap=     0.352 Goal=   None    Shift=    0.000
 RMSDP=3.88D-04 MaxDP=4.95D-02 DE=-3.37D-04 OVMax= 3.07D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  1.59D-04    CP:  1.12D+00  1.19D+00  1.11D+00
 E= -402.221350163484     Delta-E=       -0.000380300784 Rises=F Damp=F
 DIIS: error= 1.03D-04 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -402.221350163484     IErMin= 4 ErrMin= 1.03D-04
 ErrMax= 1.03D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.20D-05 BMatP= 5.72D-04
 IDIUse=3 WtCom= 9.99D-01 WtEn= 1.03D-03
 Coeff-Com: -0.101D-01 0.339D-01 0.107D+00 0.869D+00
 Coeff-En:   0.000D+00 0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.101D-01 0.339D-01 0.107D+00 0.869D+00
 Gap=     0.351 Goal=   None    Shift=    0.000
 RMSDP=1.09D-04 MaxDP=4.20D-03 DE=-3.80D-04 OVMax= 1.48D-03

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  8.30D-05    CP:  1.12D+00  1.19D+00  1.15D+00  1.11D+00
 E= -402.221362616200     Delta-E=       -0.000012452716 Rises=F Damp=F
 DIIS: error= 6.36D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -402.221362616200     IErMin= 5 ErrMin= 6.36D-05
 ErrMax= 6.36D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.49D-06 BMatP= 1.20D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.293D-02-0.620D-01-0.360D-01 0.445D+00 0.650D+00
 Coeff:      0.293D-02-0.620D-01-0.360D-01 0.445D+00 0.650D+00
 Gap=     0.351 Goal=   None    Shift=    0.000
 RMSDP=3.91D-05 MaxDP=2.44D-03 DE=-1.25D-05 OVMax= 6.61D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  2.38D-05    CP:  1.12D+00  1.19D+00  1.16D+00  1.18D+00  1.33D+00
 E= -402.221367503710     Delta-E=       -0.000004887510 Rises=F Damp=F
 DIIS: error= 1.54D-05 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -402.221367503710     IErMin= 6 ErrMin= 1.54D-05
 ErrMax= 1.54D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.87D-07 BMatP= 5.49D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.236D-02-0.278D-01-0.286D-01 0.689D-01 0.246D+00 0.739D+00
 Coeff:      0.236D-02-0.278D-01-0.286D-01 0.689D-01 0.246D+00 0.739D+00
 Gap=     0.351 Goal=   None    Shift=    0.000
 RMSDP=1.70D-05 MaxDP=1.91D-03 DE=-4.89D-06 OVMax= 3.09D-04

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  7.26D-06    CP:  1.12D+00  1.19D+00  1.16D+00  1.19D+00  1.43D+00
                    CP:  1.29D+00
 E= -402.221367951514     Delta-E=       -0.000000447805 Rises=F Damp=F
 DIIS: error= 5.80D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -402.221367951514     IErMin= 7 ErrMin= 5.80D-06
 ErrMax= 5.80D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.63D-08 BMatP= 3.87D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.586D-04 0.314D-02-0.534D-03-0.482D-01-0.356D-01 0.142D+00
 Coeff-Com:  0.939D+00
 Coeff:      0.586D-04 0.314D-02-0.534D-03-0.482D-01-0.356D-01 0.142D+00
 Coeff:      0.939D+00
 Gap=     0.351 Goal=   None    Shift=    0.000
 RMSDP=1.06D-05 MaxDP=1.39D-03 DE=-4.48D-07 OVMax= 1.67D-04

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  3.59D-06    CP:  1.12D+00  1.19D+00  1.16D+00  1.19D+00  1.46D+00
                    CP:  1.38D+00  1.34D+00
 E= -402.221368011595     Delta-E=       -0.000000060081 Rises=F Damp=F
 DIIS: error= 1.87D-06 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -402.221368011595     IErMin= 8 ErrMin= 1.87D-06
 ErrMax= 1.87D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.28D-09 BMatP= 2.63D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.190D-03 0.287D-02 0.257D-02-0.145D-01-0.259D-01-0.475D-01
 Coeff-Com:  0.137D+00 0.946D+00
 Coeff:     -0.190D-03 0.287D-02 0.257D-02-0.145D-01-0.259D-01-0.475D-01
 Coeff:      0.137D+00 0.946D+00
 Gap=     0.351 Goal=   None    Shift=    0.000
 RMSDP=2.80D-06 MaxDP=1.95D-04 DE=-6.01D-08 OVMax= 6.03D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  1.13D-06    CP:  1.12D+00  1.19D+00  1.15D+00  1.19D+00  1.46D+00
                    CP:  1.41D+00  1.51D+00  1.32D+00
 E= -402.221368017529     Delta-E=       -0.000000005934 Rises=F Damp=F
 DIIS: error= 7.56D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -402.221368017529     IErMin= 9 ErrMin= 7.56D-07
 ErrMax= 7.56D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.47D-10 BMatP= 2.28D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.530D-04 0.462D-03 0.791D-03 0.463D-03-0.320D-02-0.262D-01
 Coeff-Com: -0.565D-01 0.255D+00 0.829D+00
 Coeff:     -0.530D-04 0.462D-03 0.791D-03 0.463D-03-0.320D-02-0.262D-01
 Coeff:     -0.565D-01 0.255D+00 0.829D+00
 Gap=     0.351 Goal=   None    Shift=    0.000
 RMSDP=6.14D-07 MaxDP=3.63D-05 DE=-5.93D-09 OVMax= 1.79D-05

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  3.44D-07    CP:  1.12D+00  1.19D+00  1.15D+00  1.19D+00  1.46D+00
                    CP:  1.41D+00  1.55D+00  1.43D+00  1.13D+00
 E= -402.221368018203     Delta-E=       -0.000000000674 Rises=F Damp=F
 DIIS: error= 1.97D-07 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -402.221368018203     IErMin=10 ErrMin= 1.97D-07
 ErrMax= 1.97D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.31D-11 BMatP= 3.47D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.109D-04-0.274D-03-0.130D-03 0.215D-02 0.301D-02 0.120D-03
 Coeff-Com: -0.337D-01-0.687D-01 0.196D+00 0.901D+00
 Coeff:      0.109D-04-0.274D-03-0.130D-03 0.215D-02 0.301D-02 0.120D-03
 Coeff:     -0.337D-01-0.687D-01 0.196D+00 0.901D+00
 Gap=     0.351 Goal=   None    Shift=    0.000
 RMSDP=2.53D-07 MaxDP=1.98D-05 DE=-6.74D-10 OVMax= 7.30D-06

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  1.17D-07    CP:  1.12D+00  1.19D+00  1.15D+00  1.19D+00  1.46D+00
                    CP:  1.41D+00  1.56D+00  1.46D+00  1.23D+00  1.24D+00
 E= -402.221368018307     Delta-E=       -0.000000000104 Rises=F Damp=F
 DIIS: error= 6.99D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -402.221368018307     IErMin=11 ErrMin= 6.99D-08
 ErrMax= 6.99D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.46D-12 BMatP= 4.31D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.944D-05-0.126D-03-0.131D-03 0.484D-03 0.121D-02 0.309D-02
 Coeff-Com: -0.213D-02-0.478D-01-0.460D-01 0.244D+00 0.847D+00
 Coeff:      0.944D-05-0.126D-03-0.131D-03 0.484D-03 0.121D-02 0.309D-02
 Coeff:     -0.213D-02-0.478D-01-0.460D-01 0.244D+00 0.847D+00
 Gap=     0.351 Goal=   None    Shift=    0.000
 RMSDP=7.68D-08 MaxDP=8.57D-06 DE=-1.04D-10 OVMax= 1.97D-06

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  4.29D-08    CP:  1.12D+00  1.19D+00  1.15D+00  1.19D+00  1.46D+00
                    CP:  1.41D+00  1.56D+00  1.46D+00  1.26D+00  1.30D+00
                    CP:  1.26D+00
 E= -402.221368018319     Delta-E=       -0.000000000012 Rises=F Damp=F
 DIIS: error= 2.22D-08 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=12 EnMin= -402.221368018319     IErMin=12 ErrMin= 2.22D-08
 ErrMax= 2.22D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.74D-13 BMatP= 5.46D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.899D-07 0.126D-04-0.722D-05-0.180D-03-0.147D-03 0.519D-03
 Coeff-Com:  0.359D-02 0.168D-03-0.320D-01-0.633D-01 0.139D+00 0.953D+00
 Coeff:      0.899D-07 0.126D-04-0.722D-05-0.180D-03-0.147D-03 0.519D-03
 Coeff:      0.359D-02 0.168D-03-0.320D-01-0.633D-01 0.139D+00 0.953D+00
 Gap=     0.351 Goal=   None    Shift=    0.000
 RMSDP=2.97D-08 MaxDP=2.33D-06 DE=-1.23D-11 OVMax= 8.72D-07

 Cycle  13  Pass 1  IDiag  1:
 RMSU=  1.62D-08    CP:  1.12D+00  1.19D+00  1.15D+00  1.19D+00  1.46D+00
                    CP:  1.41D+00  1.56D+00  1.46D+00  1.25D+00  1.31D+00
                    CP:  1.34D+00  1.28D+00
 E= -402.221368018311     Delta-E=        0.000000000008 Rises=F Damp=F
 DIIS: error= 1.10D-08 at cycle  13 NSaved=  13.
 NSaved=13 IEnMin=12 EnMin= -402.221368018319     IErMin=13 ErrMin= 1.10D-08
 ErrMax= 1.10D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.02D-13 BMatP= 5.74D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.137D-05 0.216D-04 0.171D-04-0.116D-03-0.217D-03-0.307D-03
 Coeff-Com:  0.115D-02 0.702D-02-0.830D-03-0.495D-01-0.948D-01 0.220D+00
 Coeff-Com:  0.918D+00
 Coeff:     -0.137D-05 0.216D-04 0.171D-04-0.116D-03-0.217D-03-0.307D-03
 Coeff:      0.115D-02 0.702D-02-0.830D-03-0.495D-01-0.948D-01 0.220D+00
 Coeff:      0.918D+00
 Gap=     0.351 Goal=   None    Shift=    0.000
 RMSDP=1.17D-08 MaxDP=8.38D-07 DE= 7.96D-12 OVMax= 4.43D-07

 Cycle  14  Pass 1  IDiag  1:
 RMSU=  5.92D-09    CP:  1.12D+00  1.19D+00  1.15D+00  1.19D+00  1.46D+00
                    CP:  1.41D+00  1.56D+00  1.46D+00  1.25D+00  1.30D+00
                    CP:  1.38D+00  1.42D+00  1.11D+00
 E= -402.221368018317     Delta-E=       -0.000000000006 Rises=F Damp=F
 DIIS: error= 4.61D-09 at cycle  14 NSaved=  14.
 NSaved=14 IEnMin=12 EnMin= -402.221368018319     IErMin=14 ErrMin= 4.61D-09
 ErrMax= 4.61D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.09D-14 BMatP= 1.02D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.202D-06-0.533D-05-0.126D-05 0.472D-04 0.537D-04-0.274D-04
 Coeff-Com: -0.734D-03-0.116D-02 0.496D-02 0.180D-01-0.984D-02-0.186D+00
 Coeff-Com: -0.127D+00 0.130D+01
 Coeff:      0.202D-06-0.533D-05-0.126D-05 0.472D-04 0.537D-04-0.274D-04
 Coeff:     -0.734D-03-0.116D-02 0.496D-02 0.180D-01-0.984D-02-0.186D+00
 Coeff:     -0.127D+00 0.130D+01
 Gap=     0.351 Goal=   None    Shift=    0.000
 RMSDP=4.38D-09 MaxDP=3.77D-07 DE=-6.03D-12 OVMax= 2.50D-07

 SCF Done:  E(RM11) =  -402.221368018     A.U. after   14 cycles
            NFock= 14  Conv=0.44D-08     -V/T= 2.0071
 KE= 3.993982137329D+02 PE=-1.760704218780D+03 EE= 5.480365978527D+02
 Leave Link  502 at Thu Aug 12 21:02:47 2021, MaxMem=  5368709120 cpu:            2176.3 elap:             272.7
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   283
 NBasis=   283 NAE=    32 NBE=    32 NFC=     0 NFV=     0
 NROrb=    283 NOA=    32 NOB=    32 NVA=   251 NVB=   251

 **** Warning!!: The largest alpha MO coefficient is  0.82406864D+02

 Leave Link  801 at Thu Aug 12 21:02:48 2021, MaxMem=  5368709120 cpu:               0.5 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         5894 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5368709120 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.088559
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          19
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 1.34D-13 8.33D-09 XBig12= 1.00D+00 1.82D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 1.34D-13 8.33D-09 XBig12= 1.21D-01 3.75D-02.
     11 vectors produced by pass  2 Test12= 1.34D-13 8.33D-09 XBig12= 1.84D-02 2.78D-02.
     11 vectors produced by pass  3 Test12= 1.34D-13 8.33D-09 XBig12= 1.52D-03 6.90D-03.
     11 vectors produced by pass  4 Test12= 1.34D-13 8.33D-09 XBig12= 1.04D-04 1.46D-03.
     11 vectors produced by pass  5 Test12= 1.34D-13 8.33D-09 XBig12= 4.69D-06 2.93D-04.
     11 vectors produced by pass  6 Test12= 1.34D-13 8.33D-09 XBig12= 2.07D-07 6.41D-05.
     11 vectors produced by pass  7 Test12= 1.34D-13 8.33D-09 XBig12= 5.43D-09 1.06D-05.
     11 vectors produced by pass  8 Test12= 1.34D-13 8.33D-09 XBig12= 1.14D-10 1.89D-06.
      9 vectors produced by pass  9 Test12= 1.34D-13 8.33D-09 XBig12= 2.00D-12 1.79D-07.
      4 vectors produced by pass 10 Test12= 1.34D-13 8.33D-09 XBig12= 3.54D-14 1.70D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 1.42D-14
 Solved reduced A of dimension   112 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.088559:
                1             2             3 
      1  0.821733D+02
      2  0.502224D+00  0.835440D+02
      3 -0.135627D+01  0.171491D+01  0.750317D+02
 Isotropic polarizability for W=    0.088559       80.25 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.088559:
                 1             2             3 
      1   0.793803D+02 -0.268126D+02  0.283856D+02
      2  -0.398084D+02  0.132340D+02 -0.232661D+02
      3  -0.395720D+02  0.135786D+02 -0.511946D+01
      4  -0.158345D+02  0.391204D+02  0.319859D+01
      5   0.197380D+02  0.284143D+01  0.428928D+02
      6   0.774425D+01 -0.161558D+02  0.882230D+01
 Dipole-magnetic dipole polarizability for W=    0.088559:
                 1             2             3 
      1  -0.175509D+01 -0.269401D+01 -0.152091D+01
      2   0.145909D+02 -0.245919D+01  0.266384D+02
      3   0.119522D+02 -0.280548D+02  0.282233D+01
 DQ contribution to OR G for W=    0.088559:
                 1             2             3 
      1  -0.357157D+00  0.711032D+01  0.475627D+01
      2   0.864758D+01 -0.454566D+01  0.824648D+02
      3   0.109781D+02 -0.789288D+02  0.490282D+01
 Optical Rotation G' tensor for W=    0.088559:
                 1             2             3 
      1   0.922782D-01 -0.100447D+01 -0.641031D+00
      2  -0.100447D+01 -0.602797D+00  0.796092D+00
      3  -0.641031D+00  0.796092D+00 -0.881439D+00
 OR G Eigenvalues:    -1.5796    -1.0774     1.2650  Iso=     0.4640
 Eigenvectors:
   (1)   0.183716   0.727589  -0.660956
   (2)   0.677992   0.393069   0.621147
   (3)   0.711742  -0.562237  -0.421086
 w=    0.088559 a.u., Optical Rotation Beta=      0.4640 au.
 Molar Mass =    117.1474 grams/mole, [Alpha] ( 5145.0 A) =      200.84 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   40186 ScalPx= 1.56D+02
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   40186 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 7.61D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 2.23D-14 2.78D-09 XBig12= 1.00D+00 4.62D-01.
     30 vectors produced by pass  1 Test12= 2.23D-14 2.78D-09 XBig12= 2.15D-02 2.36D-02.
     30 vectors produced by pass  2 Test12= 2.23D-14 2.78D-09 XBig12= 1.17D-03 4.03D-03.
     30 vectors produced by pass  3 Test12= 2.23D-14 2.78D-09 XBig12= 1.85D-05 7.02D-04.
     30 vectors produced by pass  4 Test12= 2.23D-14 2.78D-09 XBig12= 1.98D-07 6.35D-05.
     30 vectors produced by pass  5 Test12= 2.23D-14 2.78D-09 XBig12= 2.65D-09 5.50D-06.
     30 vectors produced by pass  6 Test12= 2.23D-14 2.78D-09 XBig12= 2.92D-11 4.62D-07.
     30 vectors produced by pass  7 Test12= 2.23D-14 2.78D-09 XBig12= 2.19D-13 3.83D-08.
      4 vectors produced by pass  8 Test12= 2.23D-14 2.78D-09 XBig12= 1.72D-15 3.38D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 1.55D-15
 Solved reduced A of dimension   244 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   40186 ScalPx= 5.26D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   40186 ScalPx= 5.26D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   40186 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 2.21D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.821733D+02  0.502224D+00 -0.135627D+01
      2   0.502224D+00  0.835440D+02  0.171491D+01
      3  -0.135627D+01  0.171491D+01  0.750317D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.175509D+01 -0.269401D+01 -0.152091D+01
      2   0.145909D+02 -0.245919D+01  0.266384D+02
      3   0.119522D+02 -0.280548D+02  0.282233D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.793803D+02 -0.268126D+02  0.283856D+02
      2  -0.398084D+02  0.132340D+02 -0.232661D+02
      3  -0.395720D+02  0.135786D+02 -0.511946D+01
      4  -0.158345D+02  0.391204D+02  0.319859D+01
      5   0.197380D+02  0.284143D+01  0.428928D+02
      6   0.774425D+01 -0.161558D+02  0.882230D+01
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    57 ND12= 1 LenFil=    2055:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.630507D+01  0.226648D+01 -0.391030D+01  0.276395D+01  0.947226D+00
      2   0.226648D+01  0.118889D+01 -0.133999D-01  0.947226D+00 -0.673012D+01
      3  -0.391030D+01 -0.133999D-01  0.203386D+01  0.298246D+00 -0.906267D+00
                 6             7             8             9            10 
      1   0.298246D+00 -0.282700D+01  0.134318D+00  0.254814D+01  0.578595D+01
      2  -0.906267D+00  0.134318D+00  0.149181D-01  0.329170D+01 -0.355738D+01
      3   0.287624D+01  0.254814D+01  0.329170D+01  0.603580D+00  0.340437D+01
                11            12            13            14            15 
      1  -0.355738D+01  0.340437D+01 -0.461109D+01 -0.199406D+01  0.735620D+00
      2  -0.118778D+01  0.191633D+00 -0.199406D+01  0.408469D+01  0.121453D+01
      3   0.191633D+00 -0.291319D+01  0.735620D+00  0.121453D+01 -0.401540D+01
                16            17            18            19            20 
      1   0.556282D+01  0.232701D+00 -0.350860D+01 -0.583126D+01  0.465463D+01
      2   0.232701D+00  0.101081D+01 -0.461418D+01  0.465463D+01  0.161231D+01
      3  -0.350860D+01 -0.461418D+01 -0.911580D+00 -0.226950D+01 -0.881148D+00
                21            22            23            24            25 
      1  -0.226950D+01  0.258265D+01  0.123128D+01 -0.824441D-01 -0.335171D+01
      2  -0.881148D+00  0.123128D+01 -0.162573D+01  0.715268D+00 -0.132002D+01
      3   0.120692D+01 -0.824441D-01  0.715268D+00  0.308933D+01  0.161554D+01
                26            27            28            29            30 
      1  -0.132002D+01  0.161554D+01 -0.665294D-01 -0.230443D+01 -0.804195D-02
      2  -0.112497D+01  0.364763D+01 -0.230443D+01  0.184368D+00  0.130271D+01
      3   0.364763D+01  0.390821D+01 -0.804195D-02  0.130271D+01 -0.152046D+00
                31            32            33            34            35 
      1  -0.174916D+01 -0.448226D+00  0.187348D+01 -0.188960D+01  0.199891D+01
      2  -0.448226D+00 -0.670870D+00  0.638360D+00  0.199891D+01  0.669756D+00
      3   0.187348D+01  0.638360D+00 -0.299553D+01  0.587207D+00 -0.254502D+01
                36            37            38            39            40 
      1   0.587207D+00  0.276464D+01  0.560243D+00 -0.245107D+01  0.567711D-01
      2  -0.254502D+01  0.560243D+00  0.146437D+01 -0.128724D+01  0.517530D+00
      3  -0.267066D+01 -0.245107D+01 -0.128724D+01  0.102603D+01 -0.152063D+01
                41            42            43            44            45 
      1   0.517530D+00 -0.152063D+01 -0.375408D+01 -0.264855D+01  0.441329D+00
      2  -0.365959D+01 -0.199548D+01 -0.264855D+01 -0.369746D+01 -0.374063D+00
      3  -0.199548D+01  0.432608D+00  0.441329D+00 -0.374063D+00 -0.258280D+01
                46            47            48            49            50 
      1  -0.652412D+01  0.337419D+01 -0.218307D+01  0.220906D+01  0.200200D+01
      2   0.337419D+01  0.159236D+01  0.909953D-01  0.200200D+01 -0.309447D+01
      3  -0.218307D+01  0.909953D-01  0.288392D+01 -0.226884D+00 -0.486203D+00
                51            52            53            54            55 
      1  -0.226884D+00 -0.250948D+01 -0.507207D-02  0.247486D+01  0.441992D+01
      2  -0.486203D+00 -0.507207D-02  0.296361D-01  0.465455D+01 -0.207904D+01
      3   0.388065D+01  0.247486D+01  0.465455D+01  0.323337D+01  0.255099D+01
                56            57            58            59            60 
      1  -0.207904D+01  0.255099D+01 -0.110135D+01  0.531921D+00 -0.352093D+00
      2   0.154809D+01 -0.263473D+00  0.531921D+00  0.439280D+01 -0.168178D+01
      3  -0.263473D+00  0.169325D+01 -0.352093D+00 -0.168178D+01 -0.132722D+01
                61            62            63            64            65 
      1   0.268796D+01 -0.427379D+00  0.168636D+01 -0.371996D+01  0.183556D+01
      2  -0.427379D+00 -0.180233D+01 -0.848770D+00  0.183556D+01 -0.152982D+01
      3   0.168636D+01 -0.848770D+00 -0.342306D+01  0.300356D+01 -0.764712D+00
                66            67            68            69            70 
      1   0.300356D+01  0.269376D+01 -0.135317D+01 -0.102159D+01  0.440309D+01
      2  -0.764712D+00 -0.135317D+01  0.368300D+01  0.189205D+01 -0.635294D+00
      3  -0.167978D+01 -0.102159D+01  0.189205D+01  0.235371D+01 -0.272928D+01
                71            72            73            74            75 
      1  -0.635294D+00 -0.272928D+01  0.305028D+00 -0.889004D+00 -0.104546D+01
      2   0.274398D+01  0.222742D+01 -0.889004D+00 -0.182744D+00 -0.667496D-01
      3   0.222742D+01  0.753714D+01 -0.104546D+01 -0.667496D-01 -0.625961D+00
                76            77            78            79            80 
      1  -0.118688D+01 -0.275052D+00 -0.216698D+00 -0.107553D+01  0.510713D-01
      2  -0.275052D+00 -0.101154D+01 -0.164234D+01  0.510713D-01 -0.170504D+01
      3  -0.216698D+00 -0.164234D+01 -0.192812D+01 -0.103230D+01 -0.162863D+01
                81            82            83            84            85 
      1  -0.103230D+01  0.333253D+01  0.166944D+01 -0.266417D+01  0.230520D+01
      2  -0.162863D+01  0.166944D+01  0.163613D+01 -0.740963D+00  0.167979D+01
      3  -0.760093D+01 -0.266417D+01 -0.740963D+00  0.263131D+01 -0.858897D+00
                86            87            88            89            90 
      1   0.167979D+01 -0.858897D+00 -0.337943D+01 -0.724550D+00  0.280663D+01
      2   0.149760D+01 -0.154104D+01 -0.724550D+00 -0.175717D+01  0.190403D+01
      3  -0.154104D+01  0.195369D+01  0.280663D+01  0.190403D+01 -0.407723D+01
                91            92            93            94            95 
      1  -0.467450D+01 -0.307716D+01  0.143093D+01 -0.204490D+01 -0.200314D+01
      2  -0.307716D+01 -0.311432D+01  0.993540D+00 -0.200314D+01 -0.316761D+01
      3   0.143093D+01  0.993540D+00 -0.136022D+01  0.729267D+00  0.790102D+00
                96            97            98            99           100 
      1   0.729267D+00  0.301232D+01  0.222628D+01 -0.182693D+01 -0.480779D+01
      2   0.790102D+00  0.222628D+01  0.261648D+01 -0.149681D+01  0.303724D+01
      3  -0.916853D+00 -0.182693D+01 -0.149681D+01  0.161749D+01 -0.277958D+01
               101           102           103           104           105 
      1   0.303724D+01 -0.277958D+01  0.195814D+01 -0.152489D+01  0.769555D+00
      2  -0.252328D+01  0.147920D+01 -0.152489D+01  0.196249D+01 -0.867483D+00
      3   0.147920D+01 -0.208559D+01  0.769555D+00 -0.867483D+00  0.765522D+00
               106           107           108           109           110 
      1  -0.338906D+01  0.136769D+01 -0.204866D+01 -0.211422D+00  0.712875D+00
      2   0.136769D+01 -0.176479D+01  0.142219D+01  0.712875D+00 -0.410629D+00
      3  -0.204866D+01  0.142219D+01 -0.226431D+01  0.790822D-01 -0.479403D+00
               111           112           113           114           115 
      1   0.790822D-01  0.899029D+00 -0.409865D+00 -0.536520D+00  0.105413D+01
      2  -0.479403D+00 -0.409865D+00  0.244074D+01  0.105708D+01 -0.557741D+00
      3  -0.395775D-01 -0.536520D+00  0.105708D+01  0.190248D+01 -0.141379D+00
               116           117           118           119           120 
      1  -0.557741D+00 -0.141379D+00 -0.175067D+00 -0.871597D+00 -0.833664D+00
      2   0.280662D+01  0.168390D+01 -0.871597D+00 -0.977938D+00 -0.516762D+00
      3   0.168390D+01  0.354289D+01 -0.833664D+00 -0.516762D+00 -0.122395D+01
               121           122           123           124           125 
      1  -0.621507D+00 -0.357559D+00 -0.105740D+00 -0.109730D+01  0.789405D-01
      2  -0.357559D+00 -0.244735D+01 -0.212862D+01  0.789405D-01 -0.334335D+01
      3  -0.105740D+00 -0.212862D+01 -0.245507D+01 -0.608850D+00 -0.350448D+01
               126           127           128           129           130 
      1  -0.608850D+00  0.943420D+01 -0.350966D+01  0.891630D+00 -0.171647D+01
      2  -0.350448D+01 -0.350966D+01  0.269809D+01 -0.134293D+00  0.168453D+01
      3  -0.660093D+01  0.891630D+00 -0.134293D+00  0.104400D+01 -0.123906D+00
               131           132           133           134           135 
      1   0.168453D+01 -0.123906D+00  0.130286D+01 -0.501112D+00  0.101803D+01
      2  -0.124048D+01  0.224685D+00 -0.501112D+00  0.591497D+00 -0.982262D+00
      3   0.224685D+00 -0.541862D+00  0.101803D+01 -0.982262D+00  0.159073D+00
               136           137           138           139           140 
      1  -0.183036D+01 -0.117070D+01  0.132396D+01 -0.103666D+01 -0.100245D+01
      2  -0.117070D+01 -0.200287D+01  0.720214D+00 -0.100245D+01 -0.301680D+01
      3   0.132396D+01  0.720214D+00 -0.166436D+01  0.490853D+00  0.148249D+01
               141           142           143           144           145 
      1   0.490853D+00  0.154141D+01  0.495432D+00 -0.124988D+01  0.614930D+00
      2   0.148249D+01  0.495432D+00  0.272895D+01 -0.221458D+01  0.902042D+00
      3  -0.173755D+01 -0.124988D+01 -0.221458D+01  0.270281D+01  0.454814D+00
               146           147           148           149           150 
      1   0.902042D+00  0.454814D+00  0.131614D+01  0.308670D+00  0.476508D+00
      2  -0.141063D+00 -0.110071D-01  0.308670D+00  0.890451D+01  0.159945D+01
      3  -0.110071D-01 -0.357124D+00  0.476508D+00  0.159945D+01  0.168496D+01
               151           152           153           154           155 
      1   0.112473D+00  0.807357D-01 -0.326547D+00 -0.187036D+01 -0.858535D+00
      2   0.807357D-01  0.636158D+00  0.860543D+00 -0.858535D+00 -0.110379D+01
      3  -0.326547D+00  0.860543D+00  0.303714D+00  0.155711D+01  0.409294D+00
               156           157           158           159           160 
      1   0.155711D+01 -0.113082D+01 -0.680365D+00  0.268873D+00  0.155009D+01
      2   0.409294D+00 -0.680365D+00 -0.460903D+00  0.110229D+01  0.325313D+00
      3  -0.269274D+01  0.268873D+00  0.110229D+01 -0.209062D+01 -0.141626D+01
               161           162           163           164           165 
      1   0.325313D+00 -0.141626D+01  0.935925D+01 -0.695180D+00  0.344841D+01
      2   0.110033D+01 -0.102807D+01 -0.695180D+00  0.124963D+01 -0.284346D-01
      3  -0.102807D+01  0.499060D+01  0.344841D+01 -0.284346D-01  0.227525D+01
               166           167           168           169           170 
      1  -0.158586D+01  0.114584D+01 -0.596998D+00  0.204603D+01 -0.171670D+00
      2   0.114584D+01  0.159616D+00  0.532925D+00 -0.171670D+00  0.245968D+00
      3  -0.596998D+00  0.532925D+00 -0.930958D+00  0.171059D+01 -0.455111D+00
               171 
      1   0.171059D+01
      2  -0.455111D+00
      3   0.153261D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.619696D+01  0.165587D+01 -0.127942D+01  0.139500D+00 -0.108807D+02
      2   0.617716D+00 -0.240388D+01  0.136412D+02 -0.249318D+01 -0.321070D+01
      3  -0.896819D+01 -0.312547D+01 -0.346778D+01  0.214971D+01  0.133065D+02
                 6             7             8             9            10 
      1  -0.716377D+01 -0.139132D+01 -0.761748D+00  0.382354D+01  0.133396D+01
      2   0.529480D+01  0.737272D+01  0.630381D+01 -0.243642D+01  0.108717D+02
      3   0.199342D+01 -0.253039D+01 -0.544589D-01 -0.424074D+01  0.535032D+01
                11            12            13            14            15 
      1  -0.145562D+00 -0.400952D+00 -0.132584D+01 -0.389952D+00 -0.375608D+01
      2  -0.147466D+00  0.125299D+00 -0.345965D+01  0.105454D+01 -0.432130D+01
      3  -0.103339D+01 -0.196786D+01  0.588428D+01 -0.712910D+01  0.577198D+00
                16            17            18            19            20 
      1  -0.794408D+00  0.314865D+01  0.127910D+01 -0.311757D+01 -0.246610D+01
      2  -0.418758D+01 -0.475160D+01 -0.321736D+01 -0.578187D+01  0.983367D+00
      3   0.256713D+01  0.342364D+00  0.538259D+01 -0.215420D+00 -0.194421D+01
                21            22            23            24            25 
      1  -0.868869D+00 -0.118182D+01  0.360861D+01 -0.277711D+01  0.279021D+00
      2   0.130822D+01  0.188919D+01 -0.733168D+00  0.207782D+01 -0.102242D+02
      3   0.174093D+01  0.336838D+01 -0.134912D+01  0.140497D+01 -0.223219D+01
                26            27            28            29            30 
      1   0.348196D+01 -0.506900D+01  0.132781D+01  0.512043D+01  0.186952D+01
      2   0.688391D-01 -0.128556D+00 -0.100309D+02 -0.342407D+01  0.243921D+01
      3   0.719301D+00  0.769741D+00 -0.898135D+01 -0.430085D+01  0.524102D+00
                31            32            33            34            35 
      1   0.257794D+01 -0.564638D+01 -0.168996D+01  0.139490D+01  0.855622D+00
      2   0.244400D+01  0.254748D+01 -0.131474D+01 -0.449129D+01 -0.193625D+01
      3   0.275049D+01  0.459012D+01 -0.557327D+01 -0.515388D+01 -0.105935D+02
                36            37            38            39            40 
      1   0.384820D+01 -0.302544D+01 -0.102197D+01  0.657312D-02 -0.347623D+00
      2   0.114549D+02  0.495584D+01  0.365876D+01 -0.454893D-01 -0.140983D+01
      3  -0.473542D+00 -0.169460D+01  0.214858D+00  0.551862D+00  0.530180D+01
                41            42            43            44            45 
      1  -0.195989D-01 -0.465580D+01  0.328684D+01  0.390534D+01 -0.478773D+01
      2   0.269645D+01  0.926809D+00 -0.466490D+01  0.115235D+01  0.496794D+01
      3  -0.691382D+01 -0.167938D+01  0.192275D+01 -0.618735D+00 -0.300849D+01
                46            47            48            49            50 
      1  -0.533643D+01 -0.615849D+00  0.546803D+01 -0.111122D+01  0.959314D+00
      2  -0.656070D+01  0.904978D+00  0.594161D+01  0.329368D+00  0.103421D+00
      3   0.566960D+01 -0.137741D+02  0.377912D+01 -0.655531D+01  0.219134D+01
                51            52            53            54            55 
      1   0.597552D+01  0.349953D+01  0.125933D+02  0.497823D+01 -0.399533D+01
      2   0.648747D+01  0.117392D+01  0.818542D+01  0.613590D+01  0.525094D+01
      3   0.987245D+00  0.432634D+01  0.133590D+00 -0.132734D+02  0.936286D+01
                56            57            58            59            60 
      1  -0.249542D-01 -0.489455D+01 -0.861747D-01 -0.247554D+01  0.561543D+00
      2  -0.133410D+01  0.515530D+01 -0.112625D+00  0.175460D+01 -0.233724D+00
      3  -0.101952D+02  0.657510D+01  0.165853D+01  0.318482D+01 -0.909774D+00
                61            62            63            64            65 
      1  -0.494580D+01  0.977604D+01  0.955504D+01  0.505601D+00 -0.389166D+01
      2  -0.729833D-02  0.889962D+00  0.203126D+01  0.954548D-01  0.207570D+01
      3   0.439016D+01 -0.130214D+01  0.426145D+01  0.363521D+01 -0.520260D+01
                66            67            68            69            70 
      1   0.510936D+00 -0.894028D+00  0.357853D+01 -0.146476D+01 -0.422712D+00
      2   0.508474D+01  0.466191D+00 -0.477670D+01 -0.205189D+01 -0.213522D+01
      3  -0.132940D+01  0.167350D+01  0.494288D+01  0.476102D+01  0.458806D+01
                71            72            73            74            75 
      1   0.704030D+01  0.130529D+00  0.143524D+01  0.490828D+00  0.463302D+00
      2  -0.297878D+01 -0.139028D+02 -0.557586D-01 -0.717654D+00 -0.228763D+00
      3   0.798854D+01  0.284668D+01 -0.549227D-01 -0.117670D+01 -0.882721D+00
                76            77            78            79            80 
      1   0.291550D+00  0.254018D+01  0.128822D+01 -0.229896D-01  0.483064D+01
      2  -0.168454D+01 -0.530192D-01 -0.198464D+00 -0.293208D+01  0.357351D+00
      3   0.140032D+01 -0.505674D+00 -0.818405D+00  0.458954D+00 -0.598904D+00
                81            82            83            84            85 
      1   0.304230D+01 -0.593750D+00 -0.153799D+01 -0.352802D+00 -0.471610D+00
      2  -0.855679D-01 -0.122605D+01 -0.199905D-01  0.390976D+01  0.157688D+01
      3  -0.116890D+01 -0.161773D+01 -0.381691D+01  0.655118D+00  0.364447D+00
                86            87            88            89            90 
      1  -0.104345D+01 -0.828914D+00 -0.103751D+00  0.246423D+01 -0.134631D+00
      2  -0.111781D+01  0.294428D+01 -0.847430D+00  0.242882D+01 -0.460449D+01
      3  -0.257081D+01  0.192048D+01 -0.101582D+01  0.312803D+01 -0.195698D+01
                91            92            93            94            95 
      1   0.300768D+01  0.191133D+01 -0.279255D+01  0.214748D+01  0.225493D+01
      2  -0.266370D+01 -0.282117D+01  0.321619D+01 -0.168832D+01 -0.229899D+01
      3   0.184451D+01 -0.214685D+01 -0.674423D+00  0.828558D+00 -0.217346D+01
                96            97            98            99           100 
      1  -0.194978D+01 -0.292528D+01 -0.166407D+01  0.306824D+01  0.309875D+01
      2   0.232546D+01  0.271773D+01  0.284530D+01 -0.420022D+01 -0.535398D+01
      3   0.398791D+00 -0.103486D+01  0.224805D+01 -0.339993D+00 -0.104872D+02
               101           102           103           104           105 
      1   0.233737D-01  0.391438D+01 -0.231374D+00 -0.292338D+00 -0.146440D+01
      2   0.225656D+01 -0.570600D+00  0.186120D+01 -0.130004D+01  0.148383D+00
      3   0.412390D+01 -0.593121D+01  0.522050D+01 -0.218535D+01  0.146195D+01
               106           107           108           109           110 
      1   0.299288D+01 -0.179632D+00  0.268707D+01 -0.883494D+00  0.137522D+01
      2  -0.387495D+01  0.835615D+00 -0.917089D+00  0.464363D-01  0.482707D+00
      3  -0.781803D+01  0.193133D+01 -0.400786D+01 -0.232395D+00  0.136649D+00
               111           112           113           114           115 
      1   0.901976D+00  0.166059D+01 -0.481642D+01 -0.640607D+01  0.121939D+01
      2   0.310804D-01  0.499467D+00 -0.943439D+00 -0.118014D+01 -0.131678D+01
      3   0.623460D+00  0.217457D+01 -0.587363D+00 -0.629558D+00  0.350237D+01
               116           117           118           119           120 
      1  -0.547906D+01 -0.124772D+02 -0.835607D+00  0.202039D+00 -0.255502D+01
      2  -0.120580D+01 -0.145108D+01 -0.205812D+01 -0.106851D+01 -0.162109D+01
      3  -0.151651D+00 -0.102608D+00  0.290445D+01  0.233927D+01  0.217839D+01
               121           122           123           124           125 
      1  -0.195642D-01 -0.188249D+01 -0.505574D+01 -0.174176D+01 -0.169348D+01
      2  -0.113573D+01 -0.361985D+01 -0.395162D+01 -0.416209D+01 -0.516063D+01
      3   0.334837D+01  0.461173D+01  0.405741D+01  0.293689D+01  0.535213D+01
               126           127           128           129           130 
      1  -0.111671D+02  0.315909D+01 -0.886143D+00  0.278350D+01 -0.109220D+01
      2  -0.106517D+02  0.487100D+01 -0.126674D+01  0.489759D+01 -0.765042D+00
      3   0.770466D+01 -0.113477D+02 -0.203301D+01 -0.168933D+01  0.204973D+01
               131           132           133           134           135 
      1   0.850678D+00 -0.210520D+01  0.161981D+01 -0.861516D+00  0.853942D+00
      2   0.121902D+01 -0.160665D+01  0.128932D+01 -0.184825D+01  0.991930D+00
      3  -0.392820D+00 -0.219869D+00 -0.182847D+01 -0.698094D+00  0.562487D+00
               136           137           138           139           140 
      1   0.311339D+01  0.123620D+01 -0.421611D+01  0.156436D+01  0.324035D+01
      2   0.292153D+01  0.941263D+00 -0.152860D+01  0.124670D+01  0.220054D+01
      3   0.796028D+01  0.480792D+01 -0.427062D+01  0.594227D+01  0.669692D+01
               141           142           143           144           145 
      1  -0.538252D+01 -0.293729D+01 -0.287748D+01  0.652817D+01  0.728551D+00
      2  -0.226599D+01 -0.373527D+01 -0.332988D+01  0.359580D+01  0.101411D+01
      3  -0.415309D+01 -0.513206D+01 -0.513130D+01  0.667617D+01 -0.129139D+01
               146           147           148           149           150 
      1  -0.986013D+00  0.683735D+00 -0.111059D+01  0.119223D+02 -0.256857D+01
      2  -0.103677D+01 -0.659662D+00 -0.158194D+01  0.350637D+01  0.255147D+01
      3   0.641068D+00  0.123285D+00  0.402505D+01 -0.163835D+02 -0.169527D+01
               151           152           153           154           155 
      1   0.845735D+00  0.915848D+00  0.828308D+00 -0.264131D+01 -0.303881D+01
      2  -0.189648D+01  0.148889D+01  0.641705D+00  0.877055D+01  0.257139D+01
      3  -0.104473D+00 -0.662192D+00 -0.215449D+01  0.587351D+00  0.413063D+00
               156           157           158           159           160 
      1   0.200389D+01 -0.127346D+01 -0.190308D+01  0.163928D+01  0.195605D+01
      2  -0.642946D+01  0.298841D+01  0.310605D+01 -0.390966D+01 -0.765758D+01
      3   0.600782D+00  0.163524D+01  0.312982D-01 -0.155068D+01  0.315048D+00
               161           162           163           164           165 
      1   0.450363D+01 -0.472380D+01 -0.347811D+01  0.259974D+01 -0.124556D+01
      2  -0.286295D+01  0.110699D+02 -0.635563D+01  0.122981D+01  0.284399D+01
      3  -0.888916D+00  0.471154D+00  0.732822D+01 -0.570052D+01  0.199817D+01
               166           167           168           169           170 
      1   0.143553D+01 -0.469094D+00  0.293520D+00 -0.156072D+01  0.177456D+01
      2   0.102947D+01 -0.134749D+00 -0.172233D+01 -0.150174D+01 -0.725131D+00
      3  -0.213926D+01  0.878378D+00 -0.100500D+01  0.184247D+01 -0.114346D+01
               171 
      1  -0.140011D+01
      2   0.137780D+01
      3   0.205204D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.288720D+02  0.988152D+01 -0.240772D+02  0.123045D+02  0.119239D+02
      2   0.245522D+02 -0.340999D+01  0.504005D+01 -0.623469D+01 -0.180223D+02
      3   0.431982D+01 -0.647153D+01  0.190372D+02 -0.606978D+01  0.609842D+01
      4   0.391728D+01  0.549077D+01 -0.150328D+01  0.485834D+01 -0.211145D+02
      5  -0.255170D+02  0.527815D+01 -0.386706D+01  0.729498D+01 -0.131617D+01
      6   0.256523D+01  0.270589D+01  0.286305D-01  0.162946D+01 -0.114872D+02
                 6             7             8             9            10 
      1  -0.184741D+01 -0.189402D+02 -0.293267D+01  0.669527D+01  0.823264D+01
      2  -0.885255D+01  0.406501D+01 -0.670873D+01 -0.106471D+01 -0.287654D+01
      3   0.107000D+02  0.148752D+02  0.964140D+01 -0.563055D+01 -0.535611D+01
      4  -0.221743D+01 -0.652401D+00  0.341040D+00  0.120423D+02 -0.125528D+02
      5   0.779387D+01 -0.727510D+00  0.917948D+01  0.763955D+01  0.168446D+02
      6   0.924443D+00  0.192010D+01  0.606660D+00  0.823756D+01  0.572428D+01
                11            12            13            14            15 
      1  -0.127526D+02  0.137881D+02 -0.100046D+02 -0.236733D+01  0.280512D+01
      2   0.115109D+02 -0.823883D+01  0.107205D+02 -0.405843D+01 -0.138924D+01
      3   0.124166D+01 -0.554929D+01 -0.715849D+00  0.642575D+01 -0.141588D+01
      4  -0.257833D+01  0.243495D+01 -0.602475D+01  0.116440D+02  0.462468D+01
      5   0.300347D+01 -0.109269D+02  0.528357D+00  0.730930D+01 -0.127208D+02
      6  -0.848527D+00 -0.654464D+00  0.137079D+01 -0.168392D+01 -0.211962D+01
                16            17            18            19            20 
      1   0.113600D+02  0.133113D+01 -0.122747D+02 -0.108760D+02 -0.533534D+01
      2  -0.735421D+01 -0.240517D+01  0.942750D+01  0.806166D+01  0.699705D+01
      3  -0.400575D+01  0.107404D+01  0.284721D+01  0.281432D+01 -0.166171D+01
      4  -0.525136D+00  0.283294D+00 -0.133384D+02  0.161094D+01 -0.246174D+01
      5  -0.125969D+02 -0.138358D+02  0.159203D+01 -0.582873D+01 -0.701853D+00
      6  -0.291390D+01 -0.887310D-01  0.147492D+01 -0.763060D+01 -0.440436D+01
                21            22            23            24            25 
      1   0.314382D+01  0.223898D+01  0.835563D+01  0.317953D+01  0.881007D+00
      2   0.177068D+01 -0.102970D+00 -0.950400D+01  0.617583D+01  0.131324D+01
      3  -0.491450D+01 -0.213601D+01  0.114837D+01 -0.935535D+01 -0.219424D+01
      4  -0.311156D+00 -0.709815D+01 -0.107166D+01  0.109649D+01  0.406166D+01
      5   0.459132D+00  0.376727D+01 -0.116435D+01  0.975835D+00  0.177461D+01
      6   0.225257D+01  0.963916D+00  0.749821D+01 -0.612011D+01  0.207890D-01
                26            27            28            29            30 
      1   0.736210D+01  0.724699D+01 -0.111901D+01  0.288170D+01 -0.148777D+01
      2   0.304702D+01  0.113127D+02  0.152815D+01 -0.473003D+01 -0.638235D+01
      3  -0.104091D+02 -0.185597D+02 -0.409145D+00  0.184833D+01  0.787013D+01
      4   0.109729D+01 -0.142767D+01  0.316997D+01 -0.214273D+01 -0.712661D+01
      5  -0.145273D+01 -0.503620D+01  0.602917D+01 -0.643911D+01 -0.393606D+01
      6   0.200428D+01 -0.578677D+01 -0.254141D+01  0.460153D-01  0.820013D+00
                31            32            33            34            35 
      1   0.412460D+01  0.365696D+01 -0.572475D+01  0.836359D+01 -0.544778D+01
      2  -0.536102D+01 -0.846890D+01  0.885024D+01 -0.812643D+01 -0.435803D-01
      3   0.123642D+01  0.481193D+01 -0.312549D+01 -0.237164D+00  0.549136D+01
      4  -0.554921D+01 -0.252842D+01 -0.269442D+01 -0.116711D+02  0.463978D+01
      5  -0.147763D+02 -0.185715D+01  0.371000D+01 -0.971935D+01  0.502987D+01
      6  -0.319379D+01 -0.597421D+01 -0.123839D+01 -0.220346D+00 -0.278467D+01
                36            37            38            39            40 
      1   0.723285D-01  0.225558D-02  0.496952D+00  0.790173D+01 -0.154791D+01
      2   0.757035D+01 -0.914710D+00 -0.151616D+01 -0.206559D+01  0.141222D+01
      3  -0.764267D+01  0.912454D+00  0.101921D+01 -0.583613D+01  0.135692D+00
      4   0.610677D+01 -0.535135D+01 -0.420124D-01  0.104691D+02  0.729358D+01
      5   0.174941D+02  0.111251D+02  0.694389D+01  0.246757D+01  0.922647D+01
      6  -0.284703D+01  0.760134D+01  0.616413D+01 -0.123058D+01  0.621545D+01
                41            42            43            44            45 
      1  -0.137264D+02  0.257890D+01  0.110306D+02  0.500779D+01 -0.459258D+01
      2   0.241316D+02  0.910758D+00 -0.174114D+01  0.344903D+01 -0.487129D+00
      3  -0.104052D+02 -0.348965D+01 -0.928942D+01 -0.845681D+01  0.507971D+01
      4   0.123009D+02  0.866197D+01  0.171524D+02  0.152096D+02 -0.309364D+00
      5   0.923682D+01  0.290540D+01  0.299823D+01  0.317266D+01  0.107173D+02
      6   0.827480D+01  0.632047D+01 -0.116095D+01  0.683838D+01  0.831895D+01
                46            47            48            49            50 
      1  -0.286118D+02  0.221055D+02 -0.862346D+01  0.146600D+02  0.191549D+01
      2   0.705494D+01 -0.151784D+02  0.747119D+01 -0.122664D+02  0.907010D+01
      3   0.215568D+02 -0.692716D+01  0.115227D+01 -0.239368D+01 -0.109856D+02
      4   0.276060D+02 -0.717202D+01  0.688272D+01 -0.292384D+01 -0.136886D+02
      5  -0.546531D+01  0.669018D+00  0.868910D+01  0.119357D+00 -0.389546D+01
      6   0.564906D+01  0.129952D+01 -0.115148D+02  0.133817D+00  0.279112D+01
                51            52            53            54            55 
      1   0.150420D+01 -0.102725D+02  0.305317D+01  0.223657D+02  0.867833D+01
      2   0.465765D+01  0.736317D+01  0.474983D+01 -0.148693D+02 -0.381398D+01
      3  -0.616186D+01  0.290930D+01 -0.780300D+01 -0.749634D+01 -0.486434D+01
      4  -0.893213D+00  0.772296D+01  0.875378D+00  0.423002D+01  0.150018D+02
      5   0.105402D+02  0.779834D+01  0.119467D+02  0.889735D+01 -0.978887D+01
      6  -0.149542D+02 -0.831619D+01 -0.175515D+02 -0.122860D+02  0.122005D+02
                56            57            58            59            60 
      1   0.176502D+01 -0.307537D+01 -0.978677D+00 -0.197098D+02  0.550953D+01
      2   0.134181D+01  0.428125D+01  0.364326D+01  0.305321D+02 -0.105014D+02
      3  -0.310683D+01 -0.120589D+01 -0.266458D+01 -0.108224D+02  0.499184D+01
      4  -0.476791D+01  0.902990D+01  0.189463D+01  0.469295D+01 -0.113294D+01
      5   0.527863D+01 -0.380312D+01  0.178210D+01 -0.141516D+01  0.883726D+00
      6  -0.328277D+01  0.708749D+01 -0.314558D+01 -0.163703D+02  0.329062D+01
                61            62            63            64            65 
      1  -0.355802D+00  0.745144D+01 -0.633282D+01  0.226569D+02 -0.388958D+01
      2   0.430842D+01 -0.102986D+02 -0.899740D+01 -0.162274D+02  0.246546D+01
      3  -0.395262D+01  0.284716D+01  0.153302D+02 -0.642946D+01  0.142412D+01
      4   0.737848D+01  0.771676D+00  0.862501D+01 -0.884319D+01  0.123581D+02
      5  -0.172540D+01  0.355271D+01 -0.345272D+01 -0.168699D+02  0.652398D+01
      6   0.851500D+01  0.837678D+00 -0.146410D+02  0.343679D+01 -0.208647D+01
                66            67            68            69            70 
      1  -0.885917D+01 -0.685654D+01 -0.165216D+01  0.101550D+01 -0.101327D+02
      2   0.107332D+02  0.434921D+01  0.274669D+01 -0.491163D+01  0.100796D+02
      3  -0.187400D+01  0.250733D+01 -0.109453D+01  0.389613D+01  0.530918D-01
      4   0.556315D+01  0.116320D+02 -0.122773D+02 -0.793888D+01  0.634931D+01
      5   0.163880D+02  0.816059D+01 -0.797486D+01 -0.739352D+01  0.209713D+02
      6  -0.312842D+01 -0.366277D+01  0.436766D+01  0.972377D+01 -0.206071D+01
                71            72            73            74            75 
      1  -0.131303D+01 -0.382143D+01  0.540502D+00  0.438642D+00 -0.196912D+00
      2  -0.232419D+01 -0.215552D+02 -0.468432D+01 -0.926666D+00 -0.213665D+01
      3   0.363722D+01  0.253766D+02  0.414382D+01  0.488024D+00  0.233356D+01
      4  -0.118078D+02 -0.965710D+01  0.254626D+00  0.197307D+01  0.455671D+00
      5  -0.776131D+01 -0.296293D+02  0.241498D+01  0.145910D+01  0.684479D+01
      6   0.862569D+01  0.704322D+01  0.161412D+01  0.173300D+00  0.371185D+00
                76            77            78            79            80 
      1   0.263246D+00 -0.430549D+01 -0.451887D+01 -0.121199D+01 -0.287854D+01
      2  -0.850339D+00 -0.125132D+01 -0.368630D+01 -0.187344D+01 -0.451947D+01
      3   0.587093D+00  0.555681D+01  0.820517D+01  0.308543D+01  0.739801D+01
      4   0.216615D+01  0.390425D+00  0.466144D+00  0.191566D+00  0.920080D+00
      5   0.533629D+00  0.761718D+00  0.178234D+01  0.538218D+01  0.122449D+01
      6   0.406368D+00  0.380674D+01  0.729136D+01 -0.683984D-01  0.607645D+01
                81            82            83            84            85 
      1  -0.177631D+02  0.175922D+02  0.661353D+01 -0.102734D+02  0.602595D+01
      2  -0.171383D+02 -0.120414D+02 -0.475452D+01  0.802532D+01 -0.348844D+01
      3   0.349014D+02 -0.555085D+01 -0.185901D+01  0.224810D+01 -0.253751D+01
      4   0.378588D+00  0.982486D+01  0.866709D+01 -0.513252D+01  0.942102D+01
      5   0.606266D+01 -0.167596D+02 -0.552500D+01  0.155194D+02 -0.553174D+01
      6   0.380206D+01 -0.404978D+01 -0.257442D+01  0.321768D+01 -0.378983D+01
                86            87            88            89            90 
      1   0.295243D+01 -0.217067D+01 -0.812819D+01 -0.166382D+01  0.496642D+01
      2  -0.332338D+00  0.139890D+01  0.866589D+01  0.349507D+01 -0.118816D+02
      3  -0.262009D+01  0.771776D+00 -0.537701D+00 -0.183125D+01  0.691522D+01
      4   0.754268D+01 -0.675124D+01 -0.443984D+01 -0.613534D+01  0.763185D+01
      5  -0.719157D+01  0.821494D+01  0.163397D+02  0.811056D+01 -0.198489D+02
      6  -0.487663D+01  0.638094D+01  0.370732D+01  0.554310D+01 -0.645541D+01
                91            92            93            94            95 
      1   0.187165D+02  0.977373D+01 -0.602359D+01  0.382869D+01  0.222042D+01
      2  -0.516448D+01 -0.213464D+00  0.183939D+01  0.249334D+01  0.586646D+01
      3  -0.135520D+02 -0.956027D+01  0.418419D+01 -0.632203D+01 -0.808689D+01
      4   0.206564D+02  0.168296D+02 -0.653400D+01  0.124154D+02  0.144858D+02
      5  -0.725207D+01 -0.451607D+01  0.610279D+01 -0.272728D+01 -0.308377D+01
      6  -0.491748D+01 -0.316366D+01  0.338603D+01 -0.267156D+01 -0.361674D+01
                96            97            98            99           100 
      1  -0.611351D+00 -0.881718D+01 -0.426265D+01  0.335236D+01  0.303144D+01
      2  -0.147666D+01  0.232598D+01 -0.150777D+01 -0.911983D+00 -0.289284D-01
      3   0.208801D+01  0.649120D+01  0.577041D+01 -0.244038D+01 -0.300252D+01
      4  -0.452286D+01 -0.135392D+02 -0.127539D+02  0.858307D+01 -0.203379D+02
      5   0.298460D+01  0.880354D+01  0.655274D+01 -0.715412D+01  0.145920D+02
      6   0.347952D+01  0.646225D+01  0.662036D+01 -0.631878D+01 -0.143855D+02
               101           102           103           104           105 
      1   0.175034D+01 -0.710706D-01  0.879136D+00 -0.290382D+01  0.148535D+01
      2  -0.517934D+01 -0.139786D+01 -0.397659D+01  0.643646D+01 -0.236029D+01
      3   0.342901D+01  0.146893D+01  0.309745D+01 -0.353264D+01  0.874941D+00
      4   0.158207D+02 -0.119463D+02  0.118587D+02 -0.770187D+01  0.406503D+01
      5  -0.872902D+01  0.112690D+02 -0.481939D+01  0.436670D+01 -0.226153D+01
      6   0.995515D+01 -0.106938D+02  0.593571D+01 -0.642611D+01  0.587379D+01
               106           107           108           109           110 
      1  -0.435139D+00  0.272307D+01 -0.269493D+01 -0.128179D+01 -0.176864D+00
      2  -0.205655D+01 -0.185438D+01 -0.186848D+01  0.196046D+01 -0.267474D+01
      3   0.249169D+01 -0.868697D+00  0.456341D+01 -0.678668D+00  0.285160D+01
      4  -0.125339D+02  0.536231D+01 -0.793581D+01 -0.135979D+01  0.441120D+01
      5   0.112197D+02 -0.495119D+01  0.818194D+01 -0.330703D+00 -0.737553D+00
      6  -0.951348D+01  0.856683D+01 -0.961663D+01 -0.401299D+00 -0.218733D+01
               111           112           113           114           115 
      1   0.181106D+01 -0.542132D+00 -0.581820D+01 -0.139415D+01  0.349056D+00
      2  -0.219366D+01 -0.207817D+01  0.120519D+02  0.719304D+01 -0.256407D+01
      3   0.382601D+00  0.262030D+01 -0.623375D+01 -0.579889D+01  0.221501D+01
      4   0.124810D+00  0.490692D+01 -0.344663D+01 -0.288992D+01  0.339221D+01
      5   0.218295D+01 -0.610400D+00 -0.121349D+01 -0.100842D+01  0.823295D+00
      6   0.102645D+00 -0.226186D+01  0.452662D+01  0.957018D+01 -0.758904D+00
               116           117           118           119           120 
      1  -0.599542D+01 -0.307285D+01  0.239322D-01 -0.622897D+01 -0.442891D+01
      2   0.131159D+02  0.910771D+01  0.118476D+00  0.508728D+01  0.140565D+01
      3  -0.712051D+01 -0.603486D+01 -0.142409D+00  0.114169D+01  0.302326D+01
      4  -0.450855D+01 -0.180951D+01 -0.128019D+01  0.204066D+01  0.198922D+01
      5  -0.911200D+00 -0.212169D+01 -0.786810D+00  0.329145D+00  0.743572D+00
      6   0.764735D+01  0.145833D+02  0.332680D+01  0.292568D+01  0.548383D+01
               121           122           123           124           125 
      1  -0.319991D+01 -0.112183D+02 -0.852072D+01 -0.397326D+01 -0.112529D+02
      2   0.255442D+01  0.114495D+02  0.727198D+01  0.106785D+01  0.890240D+01
      3   0.645491D+00 -0.231287D+00  0.124874D+01  0.290541D+01  0.235048D+01
      4   0.326330D+01 -0.442542D+01 -0.434412D+01  0.471544D+01 -0.781600D+01
      5   0.101128D+01 -0.537195D+01 -0.695647D+01  0.304165D+01 -0.993168D+01
      6   0.110705D+01  0.125453D+02  0.157512D+02  0.214862D+01  0.189653D+02
               126           127           128           129           130 
      1  -0.194664D+02  0.510017D+02 -0.132284D+02  0.432730D+01 -0.605262D+01
      2   0.204951D+01 -0.191455D+02 -0.811116D+00 -0.198618D+01 -0.238568D+01
      3   0.174169D+02 -0.318561D+02  0.140396D+02 -0.234112D+01  0.843830D+01
      4  -0.591203D+01 -0.401799D+02  0.230118D+02 -0.300669D+01  0.163005D+02
      5  -0.181693D+02  0.426983D+00  0.533008D+00  0.782576D+01  0.301980D-01
      6   0.279000D+02 -0.193728D+01 -0.298102D+00 -0.419067D+01  0.229837D+00
               131           132           133           134           135 
      1   0.563829D+01 -0.185797D+00  0.608498D+01 -0.168701D+01  0.287342D+01
      2   0.228442D+01 -0.104024D+01 -0.229738D+01 -0.131217D+01 -0.122320D+01
      3  -0.792271D+01  0.122604D+01 -0.378760D+01  0.299917D+01 -0.165022D+01
      4  -0.107682D+02  0.163085D+01 -0.596530D+01  0.387569D+01 -0.514228D+01
      5   0.657488D+00 -0.216751D+01  0.767953D+01 -0.410257D+01  0.154898D+01
      6  -0.671271D+00  0.361914D+01 -0.337931D+01  0.466678D+01 -0.419716D+00
               136           137           138           139           140 
      1  -0.226797D+01 -0.933426D+01  0.537679D+01 -0.669711D+01 -0.124215D+02
      2   0.432510D+01  0.108266D+02 -0.440867D+01  0.714949D+01  0.176522D+02
      3  -0.205713D+01 -0.149235D+01 -0.968127D+00 -0.452381D+00 -0.523065D+01
      4   0.375385D+01  0.147686D+01 -0.352940D+01  0.392078D+01 -0.184222D+01
      5   0.143966D+01  0.783044D+00 -0.241888D+01  0.960994D+00  0.299873D+01
      6  -0.513501D+01 -0.398209D+01  0.730573D+01 -0.318349D+01 -0.841434D+01
               141           142           143           144           145 
      1   0.619906D+01  0.609184D+01  0.869911D+01 -0.121279D+02  0.213627D+01
      2  -0.881526D+01 -0.427191D+01 -0.122315D+02  0.808650D+01  0.825047D-01
      3   0.261620D+01 -0.181993D+01  0.353238D+01  0.404143D+01 -0.221878D+01
      4   0.211075D+00 -0.513492D+01  0.325258D+01  0.810304D-01  0.300267D+01
      5  -0.429660D+01 -0.119417D+01 -0.502332D+01  0.528257D+01  0.267760D+01
      6   0.101295D+02  0.531323D+01  0.117752D+02 -0.118562D+02  0.107650D+01
               146           147           148           149           150 
      1   0.309137D+01  0.306228D+01  0.352355D+01 -0.164733D+02 -0.366461D+01
      2  -0.164437D+01 -0.652791D+00 -0.147329D+01  0.295429D+02  0.157690D+01
      3  -0.144700D+01 -0.240948D+01 -0.205026D+01 -0.130696D+02  0.208771D+01
      4   0.485293D+01  0.511760D+00  0.747026D+01  0.293612D+02  0.623807D+01
      5   0.128428D+01  0.142957D+01  0.374824D+01  0.471797D+01  0.541643D+01
      6  -0.579968D+00 -0.249984D+00  0.160876D+01  0.204284D+02  0.979422D+01
               151           152           153           154           155 
      1   0.723793D+00 -0.320229D+01 -0.457571D+01 -0.349941D+01 -0.303402D+01
      2   0.251905D+00  0.142033D+01  0.270154D+01 -0.334331D+01 -0.342073D+00
      3  -0.975699D+00  0.178196D+01  0.187417D+01  0.684272D+01  0.337609D+01
      4   0.254430D+00  0.183083D+01  0.206188D+01 -0.223217D+01 -0.224435D+01
      5   0.129981D+01  0.249590D+01  0.309560D+00 -0.221850D+01 -0.187804D+01
      6  -0.356055D+00  0.808992D+01  0.279911D+01 -0.174320D+01 -0.380620D+01
               156           157           158           159           160 
      1   0.112459D+02 -0.389750D+01 -0.581162D+01  0.502752D+01  0.929068D+01
      2   0.328319D+01  0.918371D+00  0.213723D+01  0.387255D+01  0.122581D+01
      3  -0.145291D+02  0.297913D+01  0.367439D+01 -0.890007D+01 -0.105165D+02
      4   0.138723D+01 -0.102171D+01 -0.466472D+00  0.226630D+01  0.217734D+01
      5   0.156744D+00 -0.270241D+01  0.323244D+00 -0.371986D+01  0.391210D+01
      6   0.524257D+00 -0.239796D+01 -0.265488D+01  0.496201D+01  0.719939D+00
               161           162           163           164           165 
      1   0.374236D+01 -0.171253D+02  0.534797D+02 -0.414862D+01  0.146515D+02
      2   0.275572D+01 -0.109557D+02 -0.342251D+02  0.281686D+01 -0.134831D+02
      3  -0.649808D+01  0.280811D+02 -0.192546D+02  0.133176D+01 -0.116835D+01
      4   0.312591D+01 -0.359569D+01  0.384119D+01  0.802043D+01  0.195629D+01
      5  -0.756415D+00  0.520505D+01  0.339111D+02 -0.184415D+01  0.199054D+02
      6   0.514632D+01 -0.194100D+01 -0.453094D+00  0.394420D+01  0.108266D+01
               166           167           168           169           170 
      1  -0.840646D+01  0.404878D+01 -0.180963D+01  0.899562D+01  0.122638D+00
      2   0.564640D+01 -0.872411D+00  0.341222D+01 -0.947756D+01  0.112695D+01
      3   0.276006D+01 -0.317637D+01 -0.160259D+01  0.481939D+00 -0.124959D+01
      4   0.738939D+01 -0.584526D+00  0.276814D+01  0.106608D+01  0.143608D+01
      5  -0.599591D+01  0.411194D+01 -0.468273D+01  0.160928D+02 -0.203666D+01
      6   0.334941D+01 -0.348344D+00  0.235288D+01  0.443235D+00  0.195862D+01
               171 
      1   0.625418D+01
      2  -0.932387D+01
      3   0.306969D+01
      4  -0.612671D+00
      5   0.111250D+02
      6  -0.275700D+00
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Thu Aug 12 21:42:52 2021, MaxMem=  5368709120 cpu:           19197.0 elap:            2403.7
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.53193 -19.47792 -14.60991 -10.58158 -10.48354
 Alpha  occ. eigenvalues --  -10.44848 -10.42747 -10.42412  -1.26397  -1.16397
 Alpha  occ. eigenvalues --   -1.04320  -0.94107  -0.84821  -0.82238  -0.75656
 Alpha  occ. eigenvalues --   -0.68946  -0.65133  -0.62453  -0.60786  -0.59977
 Alpha  occ. eigenvalues --   -0.55979  -0.55755  -0.53516  -0.51813  -0.50150
 Alpha  occ. eigenvalues --   -0.49053  -0.45345  -0.44514  -0.44168  -0.43563
 Alpha  occ. eigenvalues --   -0.40598  -0.36343
 Alpha virt. eigenvalues --   -0.01244  -0.00224  -0.00117   0.00378   0.01785
 Alpha virt. eigenvalues --    0.02184   0.02239   0.03098   0.03425   0.04924
 Alpha virt. eigenvalues --    0.05568   0.06170   0.07558   0.07786   0.08521
 Alpha virt. eigenvalues --    0.09181   0.09863   0.10464   0.11023   0.11646
 Alpha virt. eigenvalues --    0.11899   0.12878   0.13005   0.13677   0.14353
 Alpha virt. eigenvalues --    0.14855   0.15567   0.15804   0.16577   0.16940
 Alpha virt. eigenvalues --    0.17227   0.18283   0.19828   0.20657   0.20731
 Alpha virt. eigenvalues --    0.22707   0.23078   0.24356   0.24959   0.25729
 Alpha virt. eigenvalues --    0.26735   0.27718   0.28119   0.28412   0.29544
 Alpha virt. eigenvalues --    0.29959   0.30252   0.30677   0.31690   0.31999
 Alpha virt. eigenvalues --    0.32166   0.33318   0.34952   0.35481   0.36782
 Alpha virt. eigenvalues --    0.37676   0.38900   0.39146   0.39741   0.39971
 Alpha virt. eigenvalues --    0.40993   0.42095   0.42240   0.42565   0.43319
 Alpha virt. eigenvalues --    0.43836   0.44686   0.44892   0.45236   0.46791
 Alpha virt. eigenvalues --    0.47223   0.48403   0.49441   0.50136   0.50711
 Alpha virt. eigenvalues --    0.51934   0.52001   0.52939   0.53286   0.54328
 Alpha virt. eigenvalues --    0.54775   0.55683   0.56151   0.56518   0.57423
 Alpha virt. eigenvalues --    0.58235   0.59254   0.60209   0.61417   0.61743
 Alpha virt. eigenvalues --    0.63337   0.64123   0.64605   0.65224   0.66337
 Alpha virt. eigenvalues --    0.66987   0.67720   0.68165   0.69628   0.70840
 Alpha virt. eigenvalues --    0.71337   0.72102   0.72943   0.73091   0.74502
 Alpha virt. eigenvalues --    0.74599   0.75363   0.76301   0.77543   0.78496
 Alpha virt. eigenvalues --    0.81525   0.81681   0.82704   0.83274   0.84898
 Alpha virt. eigenvalues --    0.86260   0.87207   0.87595   0.88870   0.90118
 Alpha virt. eigenvalues --    0.91750   0.93225   0.94575   0.95102   0.98465
 Alpha virt. eigenvalues --    0.98876   1.00496   1.01233   1.01465   1.03783
 Alpha virt. eigenvalues --    1.04442   1.06137   1.07655   1.08769   1.12325
 Alpha virt. eigenvalues --    1.13064   1.15388   1.16061   1.17606   1.18316
 Alpha virt. eigenvalues --    1.20335   1.21876   1.22099   1.24642   1.25526
 Alpha virt. eigenvalues --    1.28474   1.29495   1.31027   1.32436   1.33399
 Alpha virt. eigenvalues --    1.36105   1.39188   1.42268   1.44641   1.45854
 Alpha virt. eigenvalues --    1.47391   1.49701   1.51125   1.54722   1.57852
 Alpha virt. eigenvalues --    1.58927   1.61705   1.64595   1.65506   1.66545
 Alpha virt. eigenvalues --    1.67673   1.69426   1.73053   1.74836   1.75721
 Alpha virt. eigenvalues --    1.77413   1.79715   1.80546   1.83286   1.84488
 Alpha virt. eigenvalues --    1.85884   1.87314   1.88878   1.90290   1.91540
 Alpha virt. eigenvalues --    1.93079   1.95268   1.96666   1.97504   1.98330
 Alpha virt. eigenvalues --    1.99218   2.02599   2.04671   2.05191   2.07781
 Alpha virt. eigenvalues --    2.10118   2.11904   2.12579   2.13236   2.15058
 Alpha virt. eigenvalues --    2.16081   2.19398   2.21385   2.22419   2.23653
 Alpha virt. eigenvalues --    2.25135   2.26491   2.27907   2.29245   2.29395
 Alpha virt. eigenvalues --    2.30519   2.31406   2.35029   2.35685   2.38155
 Alpha virt. eigenvalues --    2.39041   2.41022   2.42848   2.46833   2.50412
 Alpha virt. eigenvalues --    2.53031   2.55959   2.56934   2.58830   2.60728
 Alpha virt. eigenvalues --    2.62368   2.63982   2.67563   2.68611   2.71893
 Alpha virt. eigenvalues --    2.74901   2.77265   2.79498   2.88092   2.89470
 Alpha virt. eigenvalues --    2.89788   2.94190   2.97773   3.07067   3.09220
 Alpha virt. eigenvalues --    3.12363   3.17461   3.34950   3.35795   3.42088
 Alpha virt. eigenvalues --    3.44547   3.46456   3.50771   3.53248   3.54064
 Alpha virt. eigenvalues --    3.56047   3.60121   3.72131   3.75130   3.89444
 Alpha virt. eigenvalues --    4.05925
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    4.968386   0.172562  -0.820898   0.177232   0.041054  -0.301872
     2  C    0.172562   7.813079  -0.532667  -0.625750  -0.004751  -0.044268
     3  C   -0.820898  -0.532667  13.889893  -4.073122  -0.156325  -0.123147
     4  C    0.177232  -0.625750  -4.073122   8.541387   0.327725   0.006017
     5  O    0.041054  -0.004751  -0.156325   0.327725   7.918960  -0.030998
     6  C   -0.301872  -0.044268  -0.123147   0.006017  -0.030998   5.017812
     7  N    0.149315  -0.067706  -0.942342   0.562205   0.011454  -0.031158
     8  O    0.014834   0.028647  -0.065198   0.642492  -0.040212  -0.015287
     9  H    0.112096   0.254176  -1.657849   0.329287  -0.037709  -0.016263
    10  H   -0.035637  -1.206558   0.185326   0.214366   0.002810   0.033949
    11  H   -0.008021   0.013965   0.101581  -0.189560   0.299044  -0.003758
    12  H   -0.011772   0.004877   0.164586  -0.082123   0.005225   0.007270
    13  H   -0.001210  -0.038074   0.026961  -0.091863  -0.004833   0.021161
    14  H    0.029710   0.316271  -0.475762   0.141650   0.018928   0.064588
    15  H    0.084611   0.193198   0.196669  -0.103437   0.001262  -0.012086
    16  H   -0.235058  -0.211071   0.113938   0.075306  -0.058424   0.497810
    17  H    0.054149   0.224777  -0.094036   0.028975  -0.001303  -0.017648
    18  H    0.453764  -0.145206  -0.232837   0.129463   0.000843  -0.109029
    19  H    0.082587   0.113932   0.062831  -0.027788   0.001639   0.057441
               7          8          9         10         11         12
     1  C    0.149315   0.014834   0.112096  -0.035637  -0.008021  -0.011772
     2  C   -0.067706   0.028647   0.254176  -1.206558   0.013965   0.004877
     3  C   -0.942342  -0.065198  -1.657849   0.185326   0.101581   0.164586
     4  C    0.562205   0.642492   0.329287   0.214366  -0.189560  -0.082123
     5  O    0.011454  -0.040212  -0.037709   0.002810   0.299044   0.005225
     6  C   -0.031158  -0.015287  -0.016263   0.033949  -0.003758   0.007270
     7  N    6.341052   0.017720   0.286175   0.008758  -0.000163   0.168382
     8  O    0.017720   7.695071  -0.024641   0.001679  -0.027899   0.000090
     9  H    0.286175  -0.024641   2.274818  -0.024132   0.017569  -0.090004
    10  H    0.008758   0.001679  -0.024132   2.387905   0.002437   0.019274
    11  H   -0.000163  -0.027899   0.017569   0.002437   0.583312  -0.001011
    12  H    0.168382   0.000090  -0.090004   0.019274  -0.001011   0.980162
    13  H    0.294531  -0.000326   0.053582  -0.014350  -0.000598  -0.134758
    14  H    0.051660   0.002052   0.040359  -0.068176   0.002936   0.000110
    15  H   -0.032549  -0.001963   0.018352  -0.110006  -0.001127   0.000303
    16  H   -0.005522  -0.005942  -0.015982   0.106004   0.004543  -0.000256
    17  H   -0.027538   0.002477   0.009719  -0.087696   0.000457  -0.008468
    18  H    0.016676  -0.020127   0.010798   0.089997   0.001321   0.002962
    19  H    0.008207  -0.000378   0.007421  -0.052112  -0.001178   0.001135
              13         14         15         16         17         18
     1  C   -0.001210   0.029710   0.084611  -0.235058   0.054149   0.453764
     2  C   -0.038074   0.316271   0.193198  -0.211071   0.224777  -0.145206
     3  C    0.026961  -0.475762   0.196669   0.113938  -0.094036  -0.232837
     4  C   -0.091863   0.141650  -0.103437   0.075306   0.028975   0.129463
     5  O   -0.004833   0.018928   0.001262  -0.058424  -0.001303   0.000843
     6  C    0.021161   0.064588  -0.012086   0.497810  -0.017648  -0.109029
     7  N    0.294531   0.051660  -0.032549  -0.005522  -0.027538   0.016676
     8  O   -0.000326   0.002052  -0.001963  -0.005942   0.002477  -0.020127
     9  H    0.053582   0.040359   0.018352  -0.015982   0.009719   0.010798
    10  H   -0.014350  -0.068176  -0.110006   0.106004  -0.087696   0.089997
    11  H   -0.000598   0.002936  -0.001127   0.004543   0.000457   0.001321
    12  H   -0.134758   0.000110   0.000303  -0.000256  -0.008468   0.002962
    13  H    0.876526   0.002580  -0.002272   0.002549   0.022816  -0.003154
    14  H    0.002580   1.844406  -0.471052  -0.308083  -0.018962   0.002534
    15  H   -0.002272  -0.471052   1.864391  -0.453910   0.036541  -0.009452
    16  H    0.002549  -0.308083  -0.453910   1.705625  -0.005157  -0.017813
    17  H    0.022816  -0.018962   0.036541  -0.005157   1.936686  -0.316598
    18  H   -0.003154   0.002534  -0.009452  -0.017813  -0.316598   1.739866
    19  H   -0.000730   0.033979  -0.047817  -0.009362  -0.512189  -0.393450
              19
     1  C    0.082587
     2  C    0.113932
     3  C    0.062831
     4  C   -0.027788
     5  O    0.001639
     6  C    0.057441
     7  N    0.008207
     8  O   -0.000378
     9  H    0.007421
    10  H   -0.052112
    11  H   -0.001178
    12  H    0.001135
    13  H   -0.000730
    14  H    0.033979
    15  H   -0.047817
    16  H   -0.009362
    17  H   -0.512189
    18  H   -0.393450
    19  H    1.837213
 Mulliken charges:
               1
     1  C    1.074167
     2  C   -0.259433
     3  C    0.432399
     4  C    0.017536
     5  O   -0.294388
     6  C    0.999466
     7  N    0.190843
     8  O   -0.203088
     9  H   -0.547774
    10  H   -0.453838
    11  H    0.206151
    12  H   -0.025983
    13  H   -0.008536
    14  H   -0.209731
    15  H   -0.149654
    16  H   -0.179195
    17  H   -0.227002
    18  H   -0.200559
    19  H   -0.161381
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.485225
     2  C   -0.713271
     3  C   -0.115375
     4  C    0.017536
     5  O   -0.088237
     6  C    0.460886
     7  N    0.156324
     8  O   -0.203088
 Electronic spatial extent (au):  <R**2>=            997.0736
 Charge=              0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=             -0.2025    Y=             -1.2925    Z=             -0.6819  Tot=              1.4754
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -47.6381   YY=            -49.8107   ZZ=            -52.0491
   XY=              0.7696   XZ=              3.1061   YZ=             -1.3702
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=              2.1945   YY=              0.0219   ZZ=             -2.2164
   XY=              0.7696   XZ=              3.1061   YZ=             -1.3702
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=            -16.1905  YYY=             -3.6174  ZZZ=             -5.0656  XYY=            -17.4868
  XXY=            -10.2810  XXZ=             -2.7063  XZZ=             -2.9058  YZZ=             -3.3784
  YYZ=              9.0524  XYZ=             10.6848
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=           -575.9369 YYYY=           -432.7912 ZZZZ=           -250.4851 XXXY=             31.3550
 XXXZ=              1.2738 YYYX=              3.7530 YYYZ=              5.2002 ZZZX=              4.9263
 ZZZY=             -1.0939 XXYY=           -154.4663 XXZZ=           -150.7701 YYZZ=           -118.0168
 XXYZ=            -16.8797 YYXZ=              0.4395 ZZXY=             -2.2797
 N-N= 4.110480391764D+02 E-N=-1.760704219451D+03  KE= 3.993982137329D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Thu Aug 12 21:42:53 2021, MaxMem=  5368709120 cpu:               2.6 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        =-1.09649685D-01-4.57291820D-01-2.67849514D-01
 Polarizability= 7.62567824D+01 3.46320789D-01 7.79479083D+01
                -8.36961919D-01 1.91988343D+00 6.93000600D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 2     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 3      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 4     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 5     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 6     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        0.6714    0.6781        0.2481    0.2511
 2     -0.6714   -0.6781       -0.8642   -0.8575        0.6920    0.6853
 3     -0.2481   -0.2511        3.5706    3.5708        0.8630    0.8575
 4      0.8642    0.8575        0.0000    0.0000       -0.2429   -0.2511
 5     -4.2626   -4.2561        0.2429    0.2511        0.6718    0.6781
 6     -0.8630   -0.8575       -0.6718   -0.6781        0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -2.0344   -2.0344        0.7533    0.7533
 2      2.5724    2.5724        0.0000    0.0000        0.7533    0.7533
 3      2.5724    2.5724       -2.0344   -2.0344        0.0000    0.0000
 4     -2.0344   -2.0344       -2.5724   -2.5724        2.0560    2.0560
 5     -0.7533   -0.7533       10.7124   10.7124        2.5724    2.5724
 6    -12.7684  -12.7684        0.7533    0.7533        2.0344    2.0344
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0127    0.0000       -2.5260   -2.7125       -1.3635   -1.0044
 2      2.5416    2.7125        3.8484    3.4298       -2.5826   -2.7413
 3      1.5402    1.0044      -14.3258  -14.2832       -3.6476   -3.4298
 4     -3.4804   -3.4298        0.3311    0.0000        1.2046    1.0044
 5     17.0201   17.0246       -1.0212   -1.0044       -3.0168   -2.7125
 6      3.3858    3.4298        3.2749    2.7125       -0.2334    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.1300    0.0000       10.3842   10.4313      -12.1189  -11.8968
 2    -10.2370  -10.4313       -1.5424   -1.4164        0.7774    1.4082
 3     11.9183   11.8968        9.6623    9.1548        1.7976    1.4164
 4      1.5912    1.4164        0.0250    0.0000       12.1591   11.8968
 5    -11.2460  -10.5630      -11.6142  -11.8968        9.9857   10.4313
 6     -1.4461   -1.4164      -10.4477  -10.4313        0.0255    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.2106   -0.2364       24.8196   24.6568       35.3521   35.8938
 2     -3.4054   -3.7724       40.5676   40.3912       35.4315   35.8938
 3     -3.2308   -3.7724       24.7135   24.6568       51.3851   51.6517
 4    -15.1180  -15.7344        3.9626    3.5360        7.9997    8.3770
 5     15.7160   15.7579       11.3525   10.5200       -3.6889   -3.5360
 6    -19.7646  -18.8970      -14.7587  -15.7579       15.2742   15.7344
 Full mass-weighted force constant matrix:
 Low frequencies ---  -11.7425   -2.9908    0.0009    0.0009    0.0011    2.7338
 Low frequencies ---   38.9583   92.1801  177.1261
 Diagonal vibrational polarizability:
       23.9802770      20.7247586      30.4781156
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   19436.35
                      1                      2                      3
                      A                      A                      A
 Frequencies --     38.9564                92.1772               177.1253
 Red. masses --      4.7894                 3.4434                 3.8491
 Frc consts  --      0.0043                 0.0172                 0.0711
 IR Inten    --      1.0385                 0.6045                 0.0629
 RamAct Fr= 1--      0.8021                 0.5144                 0.7789
  Dep-P Fr= 1--      0.7499                 0.7484                 0.5919
  Dep-U Fr= 1--      0.8571                 0.8561                 0.7437
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0023
 Beta2  Fr= 1--      0.1146                 0.0734                 0.0965
 AlphaG Fr= 1--     -0.0000                 0.0003                -0.0005
 Gamma2 Fr= 1--     -0.0231                 0.0349                 0.0580
 Delta2 Fr= 1--      0.0454                 0.0108                 0.0564
 Raman1 Fr= 1--       3.208                  2.057                  3.116
 ROA1   Fr= 1--      -0.769                  3.691                  7.371
 CID1   Fr= 1--      -0.240                  1.794                  2.366
 Raman2 Fr= 1--       1.375                  0.881                  1.159
 ROA2   Fr= 1--      -0.919                  0.750                  0.940
 CID2   Fr= 1--      -0.668                  0.852                  0.811
 Raman3 Fr= 1--       2.750                  1.761                  2.317
 ROA3   Fr= 1--      -0.769                  3.691                  7.371
 CID3   Fr= 1--      -0.279                  2.096                  3.181
 RC180  Fr= 1--       0.714                  0.712                  0.487
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.09  -0.18   0.09    -0.14  -0.07   0.13    -0.20  -0.04   0.04
     2   6    -0.01  -0.01  -0.00     0.01   0.04   0.05    -0.08  -0.00  -0.00
     3   6    -0.01   0.01   0.00     0.01  -0.05  -0.03    -0.02   0.09  -0.09
     4   6    -0.02   0.05   0.02     0.02   0.01   0.02     0.08   0.02  -0.03
     5   8     0.18  -0.08   0.23    -0.16   0.08  -0.02     0.21  -0.04   0.03
     6   6     0.08   0.02  -0.22     0.13   0.06  -0.09    -0.22  -0.03   0.03
     7   7     0.02   0.01  -0.02    -0.04  -0.07  -0.17     0.01   0.09  -0.07
     8   8    -0.18   0.19  -0.13     0.18  -0.00   0.11     0.19  -0.05   0.06
     9   1    -0.02  -0.01   0.01     0.04  -0.15   0.01    -0.02   0.10  -0.10
    10   1    -0.01   0.14   0.09     0.02   0.16   0.14     0.03  -0.06   0.06
    11   1     0.15  -0.03   0.23    -0.13   0.12   0.03     0.36  -0.14   0.13
    12   1     0.03   0.02  -0.02    -0.05  -0.14  -0.19     0.02   0.12  -0.07
    13   1     0.02   0.02  -0.02    -0.03   0.02  -0.21     0.03   0.08  -0.07
    14   1     0.15   0.15  -0.29     0.34   0.17  -0.19    -0.32  -0.04   0.07
    15   1     0.09   0.05  -0.20     0.10   0.11   0.09    -0.23  -0.12  -0.02
    16   1     0.08  -0.13  -0.33     0.02  -0.07  -0.26    -0.22   0.06   0.09
    17   1    -0.18  -0.19   0.26    -0.34  -0.09   0.27    -0.03  -0.03   0.02
    18   1    -0.07  -0.35   0.01    -0.09  -0.28   0.06    -0.38   0.07  -0.06
    19   1    -0.07  -0.14   0.08    -0.11   0.08   0.13    -0.28  -0.20   0.20
                      4                      5                      6
                      A                      A                      A
 Frequencies --    221.2222               244.6393               247.0789
 Red. masses --      1.1300                 1.9199                 1.0562
 Frc consts  --      0.0326                 0.0677                 0.0380
 IR Inten    --     25.8773                 6.3840                 5.1605
 RamAct Fr= 1--      0.0885                 0.1284                 0.0435
  Dep-P Fr= 1--      0.7487                 0.2670                 0.3900
  Dep-U Fr= 1--      0.8563                 0.4214                 0.5611
 Alpha2 Fr= 1--      0.0000                 0.0014                 0.0003
 Beta2  Fr= 1--      0.0126                 0.0090                 0.0041
 AlphaG Fr= 1--     -0.0000                 0.0054                -0.0033
 Gamma2 Fr= 1--     -0.0298                 0.0407                 0.0493
 Delta2 Fr= 1--      0.0368                -0.0009                 0.0324
 Raman1 Fr= 1--       0.354                  0.513                  0.174
 ROA1   Fr= 1--      -1.686                  3.881                  5.768
 CID1   Fr= 1--      -4.759                  7.559                 33.166
 Raman2 Fr= 1--       0.152                  0.108                  0.049
 ROA2   Fr= 1--      -1.011                  0.985                  0.924
 CID2   Fr= 1--      -6.665                  9.108                 18.929
 Raman3 Fr= 1--       0.303                  0.216                  0.098
 ROA3   Fr= 1--      -1.686                  3.881                  5.768
 CID3   Fr= 1--      -5.558                 17.937                 59.103
 RC180  Fr= 1--       0.713                 -0.157                  0.122
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.00   0.02    -0.12   0.05  -0.05     0.00   0.02  -0.03
     2   6     0.00   0.02   0.00     0.00  -0.03  -0.04    -0.01  -0.00  -0.01
     3   6    -0.00  -0.01   0.01     0.00  -0.03  -0.04    -0.01   0.01  -0.01
     4   6    -0.01  -0.00   0.02     0.01  -0.02  -0.03     0.00  -0.00   0.01
     5   8    -0.01   0.00  -0.01    -0.06  -0.02   0.05     0.02  -0.01   0.01
     6   6     0.03   0.03  -0.02     0.09  -0.02  -0.02    -0.03  -0.01   0.01
     7   7     0.02  -0.02  -0.06     0.02  -0.01   0.15     0.02   0.01   0.00
     8   8    -0.03  -0.02   0.02     0.07   0.05  -0.04    -0.01  -0.01   0.01
     9   1    -0.01  -0.04   0.02    -0.02   0.06  -0.08    -0.03   0.01  -0.01
    10   1    -0.00   0.03   0.01     0.01  -0.02  -0.02     0.00  -0.03  -0.02
    11   1    -0.03  -0.00  -0.02    -0.06   0.06   0.09     0.02  -0.02   0.00
    12   1    -0.27  -0.02   0.39     0.18   0.07  -0.05    -0.11   0.03   0.22
    13   1     0.56   0.08  -0.03    -0.27  -0.18   0.19     0.27   0.03   0.03
    14   1    -0.06   0.02   0.01     0.25  -0.02  -0.06     0.46   0.08  -0.15
    15   1     0.06   0.05  -0.13     0.07   0.04   0.12    -0.14  -0.05   0.53
    16   1     0.12   0.01   0.04     0.02  -0.07  -0.11    -0.43  -0.05  -0.34
    17   1     0.35   0.03  -0.05     0.21   0.08  -0.26    -0.05   0.02  -0.02
    18   1    -0.24   0.26  -0.05    -0.42   0.38  -0.13     0.06  -0.01   0.00
    19   1    -0.12  -0.31   0.17    -0.25  -0.22   0.23     0.03   0.09  -0.07
                      7                      8                      9
                      A                      A                      A
 Frequencies --    273.6378               296.6059               355.0496
 Red. masses --      1.4241                 3.1899                 2.6072
 Frc consts  --      0.0628                 0.1653                 0.1936
 IR Inten    --      7.2875                13.4854                 2.2198
 RamAct Fr= 1--      0.2406                 0.4535                 0.9690
  Dep-P Fr= 1--      0.0980                 0.3078                 0.7113
  Dep-U Fr= 1--      0.1786                 0.4707                 0.8313
 Alpha2 Fr= 1--      0.0042                 0.0045                 0.0006
 Beta2  Fr= 1--      0.0072                 0.0356                 0.1343
 AlphaG Fr= 1--     -0.0087                -0.0028                -0.0028
 Gamma2 Fr= 1--      0.0120                -0.1679                -0.1320
 Delta2 Fr= 1--     -0.0181                 0.0066                 0.1474
 Raman1 Fr= 1--       0.963                  1.814                  3.876
 ROA1   Fr= 1--       0.574                -15.903                 -7.959
 CID1   Fr= 1--       0.596                 -8.766                 -2.053
 Raman2 Fr= 1--       0.086                  0.427                  1.611
 ROA2   Fr= 1--       0.433                 -4.081                 -4.347
 CID2   Fr= 1--       5.044                 -9.560                 -2.698
 Raman3 Fr= 1--       0.172                  0.854                  3.222
 ROA3   Fr= 1--       0.574                -15.903                 -7.959
 CID3   Fr= 1--       3.337                -18.625                 -2.470
 RC180  Fr= 1--      -0.643                 -0.059                  0.663
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.10  -0.01   0.04    -0.08   0.06  -0.07    -0.01   0.17   0.06
     2   6     0.03   0.02   0.05    -0.05  -0.05  -0.02     0.04   0.04   0.09
     3   6     0.03   0.01   0.04    -0.05   0.02   0.05     0.07  -0.04   0.03
     4   6     0.01   0.00   0.02    -0.07   0.04   0.09     0.01  -0.07  -0.01
     5   8     0.02   0.01  -0.01     0.05   0.04  -0.03    -0.07  -0.08   0.05
     6   6    -0.05   0.01  -0.04     0.08  -0.03  -0.05    -0.15   0.03  -0.15
     7   7    -0.08  -0.01  -0.06     0.22   0.03  -0.08     0.13  -0.05   0.01
     8   8    -0.03  -0.01   0.01    -0.13  -0.12   0.15     0.02  -0.02  -0.04
     9   1     0.06  -0.05   0.06    -0.15  -0.03   0.09     0.15  -0.05   0.02
    10   1     0.04   0.01   0.04    -0.11  -0.03  -0.05     0.04   0.05   0.10
    11   1    -0.01   0.00  -0.05     0.10  -0.12  -0.05    -0.12   0.05   0.06
    12   1     0.09  -0.12  -0.36     0.52   0.16  -0.47     0.15   0.00   0.01
    13   1    -0.42   0.03  -0.12    -0.05   0.16  -0.17     0.15  -0.04   0.01
    14   1     0.08   0.13  -0.13     0.14  -0.02  -0.07    -0.36   0.30  -0.21
    15   1    -0.10  -0.09   0.11     0.10   0.08  -0.04    -0.16  -0.21  -0.34
    16   1    -0.22  -0.03  -0.21     0.13  -0.13  -0.08    -0.16  -0.03  -0.20
    17   1     0.46   0.02  -0.06    -0.08   0.06  -0.20    -0.16   0.16  -0.07
    18   1    -0.10   0.27   0.02    -0.12   0.15  -0.05     0.06   0.17   0.12
    19   1    -0.01  -0.35   0.15    -0.09   0.10   0.01     0.04   0.36   0.06
                     10                     11                     12
                      A                      A                      A
 Frequencies --    390.4821               454.5686               526.0454
 Red. masses --      3.1232                 2.5839                 3.8270
 Frc consts  --      0.2806                 0.3146                 0.6240
 IR Inten    --      7.1299                 5.4136                13.1365
 RamAct Fr= 1--      1.0185                 0.7296                 3.9808
  Dep-P Fr= 1--      0.5219                 0.3703                 0.0990
  Dep-U Fr= 1--      0.6859                 0.5404                 0.1802
 Alpha2 Fr= 1--      0.0045                 0.0060                 0.0699
 Beta2  Fr= 1--      0.1164                 0.0657                 0.1196
 AlphaG Fr= 1--      0.0072                 0.0068                -0.0089
 Gamma2 Fr= 1--      0.3401                 0.1479                 0.5763
 Delta2 Fr= 1--     -0.0352                 0.0382                 0.1947
 Raman1 Fr= 1--       4.074                  2.918                 15.923
 ROA1   Fr= 1--      31.523                 15.419                 61.559
 CID1   Fr= 1--       7.738                  5.283                  3.866
 Raman2 Fr= 1--       1.397                  0.789                  1.435
 ROA2   Fr= 1--       8.443                  3.243                 12.274
 CID2   Fr= 1--       6.043                  4.113                  8.555
 Raman3 Fr= 1--       2.794                  1.577                  2.869
 ROA3   Fr= 1--      31.523                 15.419                 61.559
 CID3   Fr= 1--      11.281                  9.776                 21.454
 RC180  Fr= 1--       0.372                  0.081                 -0.640
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.11   0.08  -0.04     0.07   0.07   0.07     0.00   0.03   0.02
     2   6     0.08  -0.09  -0.00    -0.16  -0.10   0.16     0.12  -0.09   0.03
     3   6     0.08  -0.05   0.09    -0.11  -0.00  -0.02     0.09   0.17  -0.02
     4   6     0.09   0.06   0.10    -0.08   0.05  -0.08     0.01  -0.00  -0.06
     5   8     0.12   0.13  -0.09     0.04   0.00  -0.05    -0.10  -0.03   0.11
     6   6    -0.01  -0.13  -0.07     0.05  -0.09  -0.04     0.08  -0.19  -0.01
     7   7    -0.13  -0.08   0.03    -0.03   0.01  -0.00    -0.10   0.24  -0.08
     8   8    -0.04   0.07   0.03     0.09   0.06  -0.01    -0.05  -0.13  -0.02
     9   1    -0.02  -0.10   0.12     0.01   0.01  -0.03     0.13   0.24  -0.06
    10   1     0.10  -0.12  -0.00    -0.18  -0.09   0.15     0.23  -0.19   0.07
    11   1    -0.06   0.06  -0.32     0.29  -0.21   0.10    -0.07   0.24   0.28
    12   1    -0.30  -0.28   0.21    -0.08   0.05   0.09    -0.25   0.03   0.05
    13   1    -0.04  -0.06   0.03     0.06  -0.01   0.02    -0.00   0.32  -0.10
    14   1    -0.10  -0.03  -0.09     0.13   0.07  -0.13     0.06  -0.14  -0.03
    15   1    -0.01  -0.22  -0.16     0.12   0.11  -0.14     0.09  -0.19  -0.07
    16   1    -0.01  -0.15  -0.08     0.20  -0.40  -0.14     0.11  -0.24  -0.02
    17   1    -0.31   0.07  -0.22     0.14   0.08  -0.15    -0.16   0.02  -0.15
    18   1    -0.15   0.10  -0.06     0.24   0.27   0.32    -0.05   0.07   0.00
    19   1    -0.10   0.32   0.15     0.13   0.09  -0.15     0.01   0.22   0.18
                     13                     14                     15
                      A                      A                      A
 Frequencies --    617.8145               671.2331               738.2570
 Red. masses --      1.3082                 3.2033                 3.0117
 Frc consts  --      0.2942                 0.8503                 0.9671
 IR Inten    --     82.8787                14.0096                33.6490
 RamAct Fr= 1--      0.4062                 3.4838                12.5724
  Dep-P Fr= 1--      0.7450                 0.2540                 0.0387
  Dep-U Fr= 1--      0.8538                 0.4051                 0.0745
 Alpha2 Fr= 1--      0.0000                 0.0408                 0.2551
 Beta2  Fr= 1--      0.0578                 0.2352                 0.1560
 AlphaG Fr= 1--     -0.0023                -0.0468                 0.0758
 Gamma2 Fr= 1--     -0.4437                -1.0264                 0.6948
 Delta2 Fr= 1--      0.0520                -0.2698                -0.0930
 Raman1 Fr= 1--       1.625                 13.935                 50.290
 ROA1   Fr= 1--     -40.931               -107.168                 63.729
 CID1   Fr= 1--     -25.194                 -7.690                  1.267
 Raman2 Fr= 1--       0.694                  2.823                  1.872
 ROA2   Fr= 1--     -11.065                -22.475                 17.420
 CID2   Fr= 1--     -15.954                 -7.962                  9.306
 Raman3 Fr= 1--       1.387                  5.645                  3.744
 ROA3   Fr= 1--     -40.931               -107.168                 63.729
 CID3   Fr= 1--     -29.507                -18.984                 17.021
 RC180  Fr= 1--       0.708                 -0.190                 -0.851
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.01   0.01    -0.01  -0.01  -0.04    -0.06  -0.05  -0.10
     2   6     0.08   0.01  -0.02     0.06   0.00  -0.03    -0.16  -0.02   0.04
     3   6     0.02  -0.02  -0.03    -0.02   0.05   0.20     0.08   0.02   0.16
     4   6    -0.05   0.05  -0.04    -0.04  -0.11   0.10     0.23  -0.07   0.03
     5   8    -0.04   0.06  -0.02    -0.07  -0.17  -0.12    -0.06   0.08   0.00
     6   6     0.00   0.01  -0.00     0.01  -0.02  -0.00    -0.04   0.07   0.01
     7   7    -0.01  -0.04   0.02    -0.00   0.09  -0.03     0.01   0.00  -0.00
     8   8    -0.04  -0.02   0.02     0.07   0.18  -0.02    -0.02  -0.06  -0.12
     9   1     0.05  -0.04  -0.03    -0.05   0.08   0.18     0.07   0.01   0.17
    10   1     0.07   0.02  -0.02    -0.01   0.00  -0.09    -0.13  -0.07   0.04
    11   1     0.69  -0.35   0.54     0.26  -0.63  -0.01     0.35   0.13   0.46
    12   1    -0.03  -0.05   0.05     0.03   0.00  -0.12    -0.03  -0.21  -0.03
    13   1    -0.03  -0.12   0.05     0.10   0.41  -0.16     0.00   0.21  -0.10
    14   1    -0.05   0.01   0.01    -0.00  -0.05   0.01     0.11   0.06  -0.02
    15   1    -0.03  -0.12   0.01    -0.01  -0.08   0.04     0.02   0.38   0.00
    16   1    -0.07   0.09   0.00    -0.03   0.05   0.01     0.12  -0.14  -0.00
    17   1    -0.03   0.00   0.03    -0.10  -0.02  -0.04     0.02  -0.05  -0.17
    18   1    -0.05  -0.03  -0.06    -0.12  -0.04  -0.15     0.06   0.04   0.05
    19   1    -0.01   0.03   0.09    -0.04   0.05   0.15    -0.02  -0.09  -0.28
                     16                     17                     18
                      A                      A                      A
 Frequencies --    820.2330               844.6948               920.6489
 Red. masses --      3.9346                 2.0312                 1.7460
 Frc consts  --      1.5597                 0.8539                 0.8719
 IR Inten    --      9.7454                72.4114                91.1734
 RamAct Fr= 1--      6.4416                 1.7742                 2.7284
  Dep-P Fr= 1--      0.0639                 0.7383                 0.6642
  Dep-U Fr= 1--      0.1202                 0.8495                 0.7982
 Alpha2 Fr= 1--      0.1231                 0.0004                 0.0042
 Beta2  Fr= 1--      0.1290                 0.2512                 0.3630
 AlphaG Fr= 1--     -0.0905                 0.0007                -0.0166
 Gamma2 Fr= 1--     -0.0513                -0.5297                 0.1052
 Delta2 Fr= 1--      0.9977                -0.3497                 0.1496
 Raman1 Fr= 1--      25.766                  7.097                 10.914
 ROA1   Fr= 1--      27.003                -62.044                 14.882
 CID1   Fr= 1--       1.048                 -8.743                  1.364
 Raman2 Fr= 1--       1.548                  3.014                  4.356
 ROA2   Fr= 1--      -9.212                 -9.916                  1.327
 CID2   Fr= 1--      -5.951                 -3.290                  0.305
 Raman3 Fr= 1--       3.096                  6.028                  8.711
 ROA3   Fr= 1--      27.003                -62.044                 14.882
 CID3   Fr= 1--       8.722                -10.292                  1.708
 RC180  Fr= 1--      -0.760                  0.699                  0.596
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.08   0.15    -0.04  -0.05  -0.07    -0.02  -0.06  -0.06
     2   6    -0.04   0.04  -0.08    -0.03  -0.03   0.06     0.05  -0.04   0.07
     3   6    -0.05  -0.01  -0.23     0.15  -0.02  -0.09     0.03   0.06  -0.11
     4   6     0.23  -0.14   0.24    -0.06   0.00   0.05     0.01  -0.01   0.04
     5   8    -0.06   0.02  -0.06    -0.01  -0.06  -0.02    -0.01  -0.01  -0.01
     6   6     0.00  -0.09  -0.02    -0.03   0.08   0.02    -0.01   0.07   0.05
     7   7     0.01   0.07  -0.02     0.05   0.09  -0.04    -0.10  -0.09   0.05
     8   8    -0.09   0.05  -0.01    -0.03   0.04   0.08    -0.02   0.02   0.02
     9   1    -0.37  -0.06  -0.17     0.23  -0.04  -0.09     0.07   0.11  -0.13
    10   1     0.15   0.00   0.08     0.15  -0.11   0.16     0.25  -0.15   0.18
    11   1     0.16  -0.24   0.05    -0.03  -0.25  -0.13     0.00  -0.09  -0.03
    12   1     0.05   0.30   0.02    -0.29  -0.30   0.27     0.30   0.41  -0.28
    13   1    -0.08  -0.27   0.12    -0.36  -0.36   0.13     0.41   0.26  -0.07
    14   1     0.04  -0.19   0.01     0.01   0.18  -0.03    -0.03   0.30  -0.05
    15   1     0.01  -0.04   0.01     0.01   0.19  -0.05     0.02   0.06  -0.09
    16   1     0.04  -0.09   0.01     0.05  -0.08  -0.02     0.03  -0.11  -0.06
    17   1     0.16   0.09   0.29     0.01  -0.05  -0.22    -0.03  -0.06  -0.26
    18   1     0.15   0.06   0.26     0.06   0.04   0.06     0.03   0.06   0.04
    19   1     0.04  -0.05  -0.08     0.00  -0.04  -0.21     0.02   0.05  -0.08
                     19                     20                     21
                      A                      A                      A
 Frequencies --    938.9160               955.6076               974.3675
 Red. masses --      1.2039                 2.2520                 1.4323
 Frc consts  --      0.6253                 1.2117                 0.8012
 IR Inten    --      0.5922                14.2920                 0.6999
 RamAct Fr= 1--      0.6212                 6.3292                 2.1847
  Dep-P Fr= 1--      0.5906                 0.6769                 0.7408
  Dep-U Fr= 1--      0.7426                 0.8073                 0.8511
 Alpha2 Fr= 1--      0.0018                 0.0082                 0.0003
 Beta2  Fr= 1--      0.0769                 0.8516                 0.3099
 AlphaG Fr= 1--     -0.0047                -0.0022                 0.0010
 Gamma2 Fr= 1--     -0.4797                -0.4594                 0.0434
 Delta2 Fr= 1--     -0.3192                 0.6623                 0.1410
 Raman1 Fr= 1--       2.485                 25.317                  8.739
 ROA1   Fr= 1--     -56.261                -22.907                  8.683
 CID1   Fr= 1--     -22.644                 -0.905                  0.994
 Raman2 Fr= 1--       0.923                 10.219                  3.719
 ROA2   Fr= 1--      -8.959                -16.324                 -0.086
 CID2   Fr= 1--      -9.711                 -1.597                 -0.023
 Raman3 Fr= 1--       1.845                 20.439                  7.438
 ROA3   Fr= 1--     -56.261                -22.907                  8.683
 CID3   Fr= 1--     -30.493                 -1.121                  1.168
 RC180  Fr= 1--       0.485                  0.615                  0.702
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.07  -0.05    -0.02   0.06   0.06     0.10  -0.02   0.07
     2   6    -0.01   0.05   0.01    -0.08   0.06  -0.09     0.01  -0.08  -0.04
     3   6     0.02   0.01  -0.00     0.18   0.09  -0.01    -0.03   0.00  -0.01
     4   6    -0.01   0.00  -0.00    -0.06   0.04  -0.01     0.01  -0.01   0.00
     5   8    -0.00  -0.01  -0.00    -0.01  -0.04   0.00    -0.00   0.00  -0.00
     6   6    -0.02  -0.05   0.07    -0.06  -0.08  -0.08    -0.09   0.08  -0.02
     7   7    -0.00  -0.01   0.00    -0.03  -0.11   0.04     0.01  -0.00  -0.01
     8   8    -0.00   0.00   0.01    -0.01   0.02   0.05     0.00  -0.00  -0.00
     9   1     0.04  -0.00   0.00     0.26   0.21  -0.07    -0.06  -0.03   0.00
    10   1     0.00  -0.29  -0.20     0.07   0.03   0.03     0.01  -0.29  -0.18
    11   1    -0.00  -0.01  -0.00    -0.01  -0.11  -0.04    -0.00   0.01  -0.00
    12   1     0.01  -0.01  -0.01     0.09  -0.16  -0.14    -0.02   0.02   0.03
    13   1    -0.01  -0.02   0.01     0.15   0.18  -0.08    -0.03  -0.08   0.02
    14   1     0.04   0.32  -0.11     0.21  -0.54   0.05     0.17  -0.06  -0.02
    15   1     0.05   0.05  -0.18     0.00   0.38   0.13     0.00   0.53   0.01
    16   1     0.09  -0.44  -0.13     0.14  -0.01   0.13     0.16  -0.10   0.05
    17   1     0.04   0.06   0.49     0.10   0.07   0.19    -0.22  -0.04  -0.12
    18   1    -0.09  -0.29  -0.32     0.08   0.03   0.14    -0.17   0.03  -0.14
    19   1    -0.07  -0.20   0.03     0.01  -0.05  -0.13     0.04   0.26   0.54
                     22                     23                     24
                      A                      A                      A
 Frequencies --   1087.9902              1123.5257              1135.8484
 Red. masses --      1.5720                 3.0551                 1.9296
 Frc consts  --      1.0964                 2.2721                 1.4668
 IR Inten    --      4.5441                65.6801               155.7992
 RamAct Fr= 1--      4.7141                 1.3051                 1.9111
  Dep-P Fr= 1--      0.7102                 0.3243                 0.7342
  Dep-U Fr= 1--      0.8305                 0.4897                 0.8468
 Alpha2 Fr= 1--      0.0033                 0.0124                 0.0005
 Beta2  Fr= 1--      0.6525                 0.1065                 0.2697
 AlphaG Fr= 1--      0.0041                 0.0244                -0.0031
 Gamma2 Fr= 1--     -0.5119                -0.2079                 0.2287
 Delta2 Fr= 1--      0.0772                -0.2602                -0.4282
 Raman1 Fr= 1--      18.856                  5.221                  7.644
 ROA1   Fr= 1--     -46.676                -28.284                  8.252
 CID1   Fr= 1--      -2.475                 -5.418                  1.080
 Raman2 Fr= 1--       7.830                  1.278                  3.236
 ROA2   Fr= 1--     -12.904                 -2.908                  8.914
 CID2   Fr= 1--      -1.648                 -2.275                  2.754
 Raman3 Fr= 1--      15.661                  2.557                  6.473
 ROA3   Fr= 1--     -46.676                -28.284                  8.252
 CID3   Fr= 1--      -2.980                -11.063                  1.275
 RC180  Fr= 1--       0.661                 -0.021                  0.694
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.04  -0.03  -0.08     0.05  -0.06  -0.04    -0.04   0.01   0.00
     2   6    -0.03   0.12   0.10    -0.02   0.10   0.06     0.07   0.00  -0.00
     3   6     0.00  -0.03  -0.01    -0.10   0.27  -0.03     0.01  -0.07   0.05
     4   6     0.00  -0.04   0.02     0.10   0.08   0.02     0.06   0.16  -0.03
     5   8     0.01   0.03   0.01    -0.03  -0.11  -0.06    -0.02  -0.13  -0.07
     6   6    -0.02  -0.08  -0.04     0.03  -0.06   0.03    -0.05  -0.01  -0.01
     7   7    -0.02   0.03  -0.02     0.07  -0.17  -0.02    -0.04   0.04  -0.01
     8   8    -0.01   0.00  -0.00    -0.02   0.02   0.03    -0.01   0.01   0.04
     9   1     0.51  -0.30   0.05    -0.16   0.22   0.01    -0.20  -0.48   0.25
    10   1    -0.18   0.26   0.05    -0.07   0.23   0.09     0.13  -0.02   0.04
    11   1    -0.00  -0.08  -0.05    -0.00   0.31   0.19     0.04   0.43   0.27
    12   1     0.08   0.41   0.00    -0.11  -0.35   0.15     0.07   0.36  -0.01
    13   1     0.08  -0.19   0.10    -0.19  -0.38   0.05     0.05  -0.15   0.09
    14   1     0.08  -0.28   0.02    -0.02   0.02   0.00     0.09  -0.08  -0.01
    15   1    -0.01   0.06   0.08     0.02  -0.15  -0.02     0.00   0.23  -0.00
    16   1     0.07  -0.05   0.06    -0.00  -0.12  -0.03     0.08  -0.06   0.04
    17   1    -0.14  -0.05  -0.11    -0.14  -0.07  -0.23     0.10   0.02   0.02
    18   1    -0.15  -0.05  -0.25    -0.11   0.05  -0.12     0.08  -0.01   0.09
    19   1    -0.01   0.07   0.18     0.03   0.15   0.21    -0.01  -0.06  -0.18
                     25                     26                     27
                      A                      A                      A
 Frequencies --   1148.7457              1206.5749              1243.3324
 Red. masses --      2.0159                 2.0079                 1.5588
 Frc consts  --      1.5673                 1.7223                 1.4197
 IR Inten    --     52.5007                 1.8064                 9.8710
 RamAct Fr= 1--      1.3029                 3.8304                 1.0534
  Dep-P Fr= 1--      0.7379                 0.5774                 0.4411
  Dep-U Fr= 1--      0.8492                 0.7321                 0.6122
 Alpha2 Fr= 1--      0.0003                 0.0124                 0.0067
 Beta2  Fr= 1--      0.1844                 0.4674                 0.1075
 AlphaG Fr= 1--     -0.0039                 0.0066                 0.0138
 Gamma2 Fr= 1--      0.0087                 0.0367                -0.1133
 Delta2 Fr= 1--      0.2823                -0.3118                 0.0533
 Raman1 Fr= 1--       5.212                 15.321                  4.214
 ROA1   Fr= 1--       9.875                 -6.452                 -9.170
 CID1   Fr= 1--       1.895                 -0.421                 -2.176
 Raman2 Fr= 1--       2.213                  5.608                  1.290
 ROA2   Fr= 1--      -2.049                  3.375                 -3.145
 CID2   Fr= 1--      -0.926                  0.602                 -2.439
 Raman3 Fr= 1--       4.426                 11.217                  2.580
 ROA3   Fr= 1--       9.875                 -6.452                 -9.170
 CID3   Fr= 1--       2.231                 -0.575                 -3.555
 RC180  Fr= 1--       0.698                  0.464                  0.224
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.06  -0.04  -0.00    -0.02   0.10  -0.08     0.04   0.00  -0.04
     2   6     0.14   0.12  -0.02     0.06  -0.12   0.16     0.03   0.05   0.08
     3   6    -0.09   0.03   0.06    -0.07   0.08  -0.00    -0.02  -0.14  -0.08
     4   6    -0.07  -0.08  -0.02     0.01  -0.03   0.01     0.01   0.02   0.00
     5   8     0.02   0.07   0.04    -0.00   0.01   0.00     0.01  -0.02  -0.02
     6   6    -0.09  -0.05   0.02    -0.00   0.05  -0.12    -0.05  -0.03  -0.01
     7   7     0.03  -0.02  -0.02     0.01  -0.03  -0.02     0.02   0.04   0.05
     8   8     0.03  -0.02  -0.04     0.00  -0.00  -0.01    -0.01   0.01   0.02
     9   1    -0.26  -0.00   0.10    -0.04   0.07   0.01    -0.27   0.28  -0.23
    10   1     0.48   0.02   0.23     0.22  -0.24   0.23     0.04   0.31   0.26
    11   1    -0.01  -0.17  -0.12    -0.01  -0.02  -0.03     0.03   0.17   0.10
    12   1    -0.04  -0.01   0.08    -0.02   0.01   0.04    -0.05  -0.39  -0.04
    13   1    -0.10  -0.15   0.03    -0.05  -0.14   0.02    -0.00   0.50  -0.16
    14   1     0.21  -0.04  -0.06     0.02  -0.34   0.06     0.08  -0.09  -0.01
    15   1     0.02   0.32  -0.07    -0.05   0.13   0.23    -0.02   0.14   0.02
    16   1     0.20  -0.34   0.04     0.04   0.38   0.16     0.09  -0.10   0.05
    17   1     0.10  -0.02  -0.17     0.07   0.08   0.35    -0.08  -0.01  -0.00
    18   1     0.10   0.08   0.18     0.03  -0.28  -0.23    -0.08  -0.07  -0.18
    19   1     0.03   0.02  -0.26    -0.09  -0.26  -0.10    -0.00  -0.02   0.08
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1283.3970              1324.0365              1353.8863
 Red. masses --      1.4017                 1.6072                 1.4719
 Frc consts  --      1.3602                 1.6601                 1.5896
 IR Inten    --      2.4937                16.6902                 9.8618
 RamAct Fr= 1--      9.6886                 3.2053                 3.9203
  Dep-P Fr= 1--      0.5228                 0.5053                 0.7117
  Dep-U Fr= 1--      0.6866                 0.6714                 0.8316
 Alpha2 Fr= 1--      0.0428                 0.0154                 0.0026
 Beta2  Fr= 1--      1.1087                 0.3587                 0.5433
 AlphaG Fr= 1--     -0.0291                -0.0127                -0.0048
 Gamma2 Fr= 1--     -1.7166                 0.1891                 1.5343
 Delta2 Fr= 1--      1.1432                -0.8094                 1.0966
 Raman1 Fr= 1--      38.754                 12.821                 15.681
 ROA1   Fr= 1--    -128.213                 -7.744                182.385
 CID1   Fr= 1--      -3.308                 -0.604                 11.631
 Raman2 Fr= 1--      13.304                  4.304                  6.520
 ROA2   Fr= 1--     -50.345                 11.015                 28.051
 CID2   Fr= 1--      -3.784                  2.559                  4.302
 Raman3 Fr= 1--      26.609                  8.608                 13.040
 ROA3   Fr= 1--    -128.213                 -7.744                182.385
 CID3   Fr= 1--      -4.819                 -0.900                 13.987
 RC180  Fr= 1--       0.373                  0.343                  0.663
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.05  -0.00   0.02     0.04  -0.01  -0.00     0.02   0.04  -0.02
     2   6     0.08  -0.02  -0.02    -0.12   0.07  -0.02     0.01  -0.12  -0.05
     3   6    -0.10  -0.02   0.00     0.04  -0.02   0.02     0.07   0.02   0.04
     4   6    -0.01  -0.08   0.02    -0.09  -0.11   0.00    -0.05  -0.07   0.00
     5   8     0.03  -0.00  -0.04     0.04   0.01  -0.04     0.02   0.01  -0.01
     6   6    -0.02   0.01   0.00     0.05   0.01  -0.02    -0.03  -0.01   0.04
     7   7     0.02  -0.00  -0.00    -0.00   0.01  -0.01    -0.02  -0.01  -0.04
     8   8    -0.02   0.04   0.04     0.01   0.03   0.02     0.00   0.02   0.01
     9   1     0.68   0.23  -0.20    -0.15  -0.02   0.04    -0.14   0.22  -0.02
    10   1    -0.12  -0.07  -0.24     0.51  -0.39   0.25    -0.16   0.68   0.32
    11   1     0.06   0.44   0.24     0.09   0.50   0.28     0.04   0.21   0.12
    12   1    -0.03  -0.06   0.03     0.02   0.08  -0.01     0.03   0.25   0.00
    13   1    -0.04   0.04  -0.03     0.01  -0.05   0.02     0.02  -0.26   0.08
    14   1     0.07   0.00  -0.02    -0.11  -0.06   0.05     0.03   0.17  -0.04
    15   1    -0.01   0.05  -0.02    -0.00  -0.18   0.04     0.02   0.13  -0.08
    16   1     0.04  -0.04   0.02    -0.06   0.08  -0.05    -0.01  -0.07   0.00
    17   1     0.11   0.01  -0.01    -0.12  -0.02  -0.01    -0.00   0.03   0.14
    18   1     0.09   0.02   0.15    -0.09   0.06  -0.08     0.04  -0.07  -0.05
    19   1    -0.01  -0.02  -0.13     0.03   0.05   0.09    -0.04  -0.07   0.11
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1386.0551              1410.8789              1425.0914
 Red. masses --      1.3274                 1.2548                 1.4555
 Frc consts  --      1.5025                 1.4717                 1.7415
 IR Inten    --      2.0184                 8.6047                 4.7568
 RamAct Fr= 1--      3.9293                 0.1726                 1.3181
  Dep-P Fr= 1--      0.7452                 0.7355                 0.3952
  Dep-U Fr= 1--      0.8540                 0.8476                 0.5665
 Alpha2 Fr= 1--      0.0003                 0.0000                 0.0099
 Beta2  Fr= 1--      0.5593                 0.0244                 0.1244
 AlphaG Fr= 1--      0.0031                 0.0001                 0.0130
 Gamma2 Fr= 1--      0.9988                 0.0219                 0.1833
 Delta2 Fr= 1--     -1.0725                -0.0636                -0.3772
 Raman1 Fr= 1--      15.717                  0.690                  5.272
 ROA1   Fr= 1--      61.567                  0.067                  5.525
 CID1   Fr= 1--       3.917                  0.097                  1.048
 Raman2 Fr= 1--       6.711                  0.293                  1.493
 ROA2   Fr= 1--      32.551                  1.035                  7.416
 CID2   Fr= 1--       4.850                  3.537                  4.966
 Raman3 Fr= 1--      13.422                  0.585                  2.987
 ROA3   Fr= 1--      61.567                  0.067                  5.525
 CID3   Fr= 1--       4.587                  0.114                  1.850
 RC180  Fr= 1--       0.708                  0.695                  0.133
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.01  -0.04    -0.03  -0.05  -0.09     0.03   0.02   0.05
     2   6    -0.04  -0.05  -0.09     0.00   0.03   0.03    -0.04   0.02  -0.03
     3   6    -0.09   0.01  -0.00     0.01  -0.02   0.00    -0.03  -0.09   0.09
     4   6     0.03   0.05   0.00     0.00   0.00   0.00     0.06   0.09  -0.01
     5   8    -0.01  -0.01   0.01     0.00  -0.00  -0.00    -0.02  -0.02   0.01
     6   6     0.01   0.01   0.03     0.02  -0.10  -0.02     0.02  -0.04   0.00
     7   7     0.02   0.01   0.03    -0.00   0.00  -0.01    -0.01  -0.01  -0.05
     8   8    -0.00  -0.01  -0.01     0.00  -0.00  -0.00    -0.01  -0.01  -0.00
     9   1     0.46  -0.35   0.09    -0.07   0.12  -0.05     0.20   0.60  -0.23
    10   1     0.41   0.17   0.46    -0.02  -0.10  -0.08     0.27  -0.09   0.17
    11   1    -0.02  -0.10  -0.06     0.00   0.00   0.00    -0.02  -0.16  -0.08
    12   1    -0.02  -0.18  -0.00     0.01   0.02  -0.01     0.00   0.27   0.06
    13   1    -0.02   0.17  -0.05    -0.00  -0.03   0.01    -0.05  -0.19   0.04
    14   1    -0.01   0.04   0.01    -0.14   0.34  -0.14    -0.13   0.11  -0.02
    15   1     0.03   0.01  -0.11     0.08   0.36   0.11     0.06   0.17   0.00
    16   1    -0.09  -0.02  -0.07    -0.13   0.34   0.15    -0.15   0.13  -0.02
    17   1    -0.00   0.01   0.23     0.13  -0.03   0.36    -0.13   0.01  -0.20
    18   1     0.07   0.07   0.05     0.18   0.26   0.28    -0.14  -0.10  -0.16
    19   1    -0.03   0.04   0.21    -0.05   0.23   0.30     0.04  -0.12  -0.15
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1432.8556              1487.9467              1495.9643
 Red. masses --      1.2624                 1.0481                 1.0471
 Frc consts  --      1.5270                 1.3672                 1.3807
 IR Inten    --      6.8940                 1.6835                 1.4103
 RamAct Fr= 1--      1.3956                 5.5028                 4.2447
  Dep-P Fr= 1--      0.7438                 0.7447                 0.7418
  Dep-U Fr= 1--      0.8531                 0.8537                 0.8518
 Alpha2 Fr= 1--      0.0001                 0.0005                 0.0006
 Beta2  Fr= 1--      0.1984                 0.7829                 0.6026
 AlphaG Fr= 1--     -0.0003                -0.0019                 0.0048
 Gamma2 Fr= 1--      0.0281                 0.2186                 0.0658
 Delta2 Fr= 1--      0.0376                -0.0493                 0.0262
 Raman1 Fr= 1--       5.583                 22.011                 16.979
 ROA1   Fr= 1--       3.907                 19.411                  7.159
 CID1   Fr= 1--       0.700                  0.882                  0.422
 Raman2 Fr= 1--       2.381                  9.395                  7.231
 ROA2   Fr= 1--       0.374                  5.641                  1.370
 CID2   Fr= 1--       0.157                  0.600                  0.189
 Raman3 Fr= 1--       4.762                 18.791                 14.462
 ROA3   Fr= 1--       3.907                 19.411                  7.159
 CID3   Fr= 1--       0.820                  1.033                  0.495
 RC180  Fr= 1--       0.706                  0.707                  0.704
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.03   0.07     0.03  -0.02   0.00    -0.00  -0.03   0.02
     2   6     0.00  -0.01  -0.01    -0.01  -0.01  -0.00     0.01  -0.03  -0.02
     3   6    -0.01   0.05  -0.04    -0.00   0.00   0.01    -0.01   0.00   0.00
     4   6    -0.02  -0.04   0.00     0.01   0.01  -0.00     0.00   0.00  -0.00
     5   8     0.01   0.01  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     6   6     0.01  -0.09   0.00    -0.04  -0.00  -0.00     0.01   0.01  -0.03
     7   7     0.01   0.00   0.03    -0.00  -0.00  -0.00    -0.00   0.00   0.00
     8   8     0.00   0.01   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     9   1     0.03  -0.35   0.12     0.03   0.02  -0.00     0.04  -0.02   0.00
    10   1    -0.04   0.06  -0.01     0.01  -0.01   0.02     0.00   0.09   0.05
    11   1     0.01   0.07   0.04    -0.00  -0.02  -0.01    -0.00  -0.00  -0.00
    12   1    -0.01  -0.15  -0.01     0.00   0.02   0.01     0.00  -0.02  -0.02
    13   1     0.01   0.13  -0.03    -0.01  -0.02   0.00     0.01  -0.01   0.01
    14   1    -0.09   0.36  -0.15     0.42   0.17  -0.19    -0.40   0.08   0.06
    15   1     0.09   0.37   0.02    -0.06  -0.27  -0.11    -0.08   0.05   0.47
    16   1    -0.17   0.34   0.14     0.23   0.19   0.33     0.20  -0.25  -0.04
    17   1    -0.08   0.02  -0.30    -0.28  -0.04   0.27     0.21  -0.00   0.21
    18   1    -0.18  -0.19  -0.22    -0.28   0.39  -0.04    -0.33   0.14  -0.19
    19   1     0.06  -0.15  -0.29     0.09  -0.02  -0.27     0.17   0.36  -0.27
                     37                     38                     39
                      A                      A                      A
 Frequencies --   1506.6877              1514.3673              1671.1224
 Red. masses --      1.0555                 1.0457                 1.0879
 Frc consts  --      1.4117                 1.4129                 1.7901
 IR Inten    --      5.6662                14.4676                34.4839
 RamAct Fr= 1--      7.9960                 1.4478                 2.2691
  Dep-P Fr= 1--      0.7446                 0.6853                 0.5355
  Dep-U Fr= 1--      0.8536                 0.8133                 0.6975
 Alpha2 Fr= 1--      0.0007                 0.0016                 0.0094
 Beta2  Fr= 1--      1.1375                 0.1962                 0.2638
 AlphaG Fr= 1--     -0.0031                -0.0007                -0.0053
 Gamma2 Fr= 1--      0.0347                -0.1717                -0.1818
 Delta2 Fr= 1--      0.4088                 0.2024                 0.1490
 Raman1 Fr= 1--      31.984                  5.791                  9.076
 ROA1   Fr= 1--      16.418                -10.004                -12.685
 CID1   Fr= 1--       0.513                 -1.727                 -1.398
 Raman2 Fr= 1--      13.650                  2.355                  3.165
 ROA2   Fr= 1--      -2.437                 -5.739                 -5.556
 CID2   Fr= 1--      -0.179                 -2.437                 -1.755
 Raman3 Fr= 1--      27.301                  4.710                  6.331
 ROA3   Fr= 1--      16.418                -10.004                -12.685
 CID3   Fr= 1--       0.601                 -2.124                 -2.004
 RC180  Fr= 1--       0.707                  0.627                  0.395
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.03   0.00    -0.04  -0.01   0.01     0.00   0.00   0.00
     2   6    -0.02   0.01  -0.03    -0.03  -0.00   0.00     0.01   0.01   0.00
     3   6    -0.00  -0.00   0.01     0.00  -0.01   0.01    -0.02  -0.01   0.01
     4   6     0.00   0.01  -0.00     0.00   0.01   0.00     0.00   0.00   0.00
     5   8    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     6   6    -0.02  -0.01  -0.04    -0.02  -0.00   0.01    -0.00  -0.00  -0.00
     7   7     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.03   0.07   0.00
     8   8     0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     9   1     0.04  -0.01   0.00     0.00   0.04  -0.02     0.02   0.05  -0.01
    10   1     0.06   0.00   0.03     0.05  -0.02   0.07     0.02  -0.01   0.00
    11   1    -0.00  -0.01  -0.01     0.00  -0.01  -0.00    -0.00  -0.00  -0.00
    12   1    -0.00   0.01   0.01     0.01  -0.02  -0.03     0.14  -0.49  -0.46
    13   1     0.00   0.01  -0.00     0.02  -0.03   0.02     0.51  -0.43   0.27
    14   1    -0.03   0.32  -0.15     0.32   0.04  -0.10    -0.00  -0.00   0.00
    15   1    -0.14  -0.23   0.44    -0.00  -0.15  -0.21     0.00   0.01   0.00
    16   1     0.46  -0.05   0.32     0.02   0.18   0.15    -0.00  -0.00  -0.00
    17   1    -0.01   0.02  -0.24     0.59   0.05  -0.09    -0.05  -0.00  -0.02
    18   1     0.25  -0.23   0.09    -0.06  -0.33  -0.20     0.00   0.01   0.00
    19   1    -0.11  -0.18   0.24     0.08   0.47   0.06    -0.01  -0.04  -0.01
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1801.9880              3033.1170              3033.8824
 Red. masses --      9.5575                 1.0779                 1.0377
 Frc consts  --     18.2852                 5.8427                 5.6274
 IR Inten    --    260.1820                 8.4301                21.9677
 RamAct Fr= 1--      9.5512               144.2546                82.6453
  Dep-P Fr= 1--      0.2023                 0.2537                 0.0276
  Dep-U Fr= 1--      0.3365                 0.4048                 0.0538
 Alpha2 Fr= 1--      0.1289                 1.6919                 1.7213
 Beta2  Fr= 1--      0.5356                 9.7316                 0.7407
 AlphaG Fr= 1--     -0.0144                -0.1989                 0.0034
 Gamma2 Fr= 1--     -0.3851                -8.5000                 1.4713
 Delta2 Fr= 1--      0.2596                -5.8524                 0.8033
 Raman1 Fr= 1--      38.205                577.018                330.581
 ROA1   Fr= 1--     -28.665              -1003.279                166.953
 CID1   Fr= 1--      -0.750                 -1.739                  0.505
 Raman2 Fr= 1--       6.428                116.779                  8.888
 ROA2   Fr= 1--     -11.320               -157.182                 28.886
 CID2   Fr= 1--      -1.761                 -1.346                  3.250
 Raman3 Fr= 1--      12.855                233.558                 17.777
 ROA3   Fr= 1--     -28.665              -1003.279                166.953
 CID3   Fr= 1--      -2.230                 -4.296                  9.392
 RC180  Fr= 1--      -0.327                 -0.190                 -0.892
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00   0.00    -0.01  -0.00   0.02     0.01   0.00   0.02
     2   6     0.01  -0.01   0.01     0.05   0.03  -0.05    -0.01  -0.01   0.01
     3   6     0.02  -0.00  -0.05     0.00   0.00   0.01    -0.00  -0.00  -0.00
     4   6    -0.31   0.26   0.58    -0.00   0.00   0.00     0.00   0.00  -0.00
     5   8     0.02  -0.03  -0.05     0.00  -0.00  -0.00     0.00  -0.00   0.00
     6   6    -0.00  -0.00  -0.00    -0.01   0.00   0.01    -0.00   0.04   0.00
     7   7    -0.00  -0.01   0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
     8   8     0.18  -0.19  -0.36     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     9   1     0.19   0.10  -0.09    -0.01  -0.04  -0.10     0.01   0.02   0.05
    10   1    -0.05   0.02  -0.05    -0.55  -0.39   0.60     0.14   0.10  -0.16
    11   1     0.06   0.41   0.23    -0.00   0.00  -0.00     0.00  -0.00   0.00
    12   1    -0.02  -0.00   0.02    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    13   1    -0.04  -0.03   0.01    -0.00   0.00   0.00     0.00   0.00   0.00
    14   1     0.02   0.00  -0.00    -0.03  -0.05  -0.12    -0.12  -0.19  -0.47
    15   1    -0.00   0.00   0.01     0.14  -0.02   0.03     0.48  -0.08   0.09
    16   1     0.02   0.00   0.02     0.02   0.02  -0.03    -0.30  -0.25   0.38
    17   1    -0.01   0.00   0.01     0.01  -0.12   0.00     0.02  -0.18   0.00
    18   1    -0.05   0.02  -0.01     0.20   0.12  -0.22     0.12   0.08  -0.13
    19   1     0.01   0.00  -0.06    -0.13   0.03  -0.03    -0.22   0.06  -0.05
                     43                     44                     45
                      A                      A                      A
 Frequencies --   3039.0645              3070.1275              3093.8015
 Red. masses --      1.0385                 1.0852                 1.1021
 Frc consts  --      5.6510                 6.0266                 6.2151
 IR Inten    --     19.1473                12.6462                 0.9813
 RamAct Fr= 1--    225.2749                92.6928                11.3625
  Dep-P Fr= 1--      0.0275                 0.1379                 0.7110
  Dep-U Fr= 1--      0.0535                 0.2424                 0.8311
 Alpha2 Fr= 1--      4.6938                 1.4774                 0.0077
 Beta2  Fr= 1--      2.0079                 3.7442                 1.5739
 AlphaG Fr= 1--     -0.4462                 0.8023                 0.0078
 Gamma2 Fr= 1--      0.6935                 9.7129                 5.2198
 Delta2 Fr= 1--      0.2888                 6.3917                 2.9847
 Raman1 Fr= 1--     901.099                370.771                 45.450
 ROA1   Fr= 1--      75.821               1136.977                596.608
 CID1   Fr= 1--       0.084                  3.067                 13.127
 Raman2 Fr= 1--      24.094                 44.931                 18.886
 ROA2   Fr= 1--      14.335                181.976                101.397
 CID2   Fr= 1--       0.595                  4.050                  5.369
 Raman3 Fr= 1--      48.189                 89.861                 37.773
 ROA3   Fr= 1--      75.821               1136.977                596.608
 CID3   Fr= 1--       1.573                 12.653                 15.795
 RC180  Fr= 1--      -0.893                 -0.515                  0.662
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.01  -0.04    -0.00   0.00   0.00    -0.07   0.01   0.02
     2   6     0.01   0.01  -0.01     0.00   0.00  -0.01    -0.00  -0.00   0.00
     3   6     0.00  -0.00  -0.00    -0.01  -0.03  -0.08     0.00   0.00   0.00
     4   6     0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
     5   8     0.00  -0.00   0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
     6   6    -0.01   0.02   0.01     0.00  -0.00   0.01     0.05   0.01  -0.02
     7   7    -0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
     8   8     0.00   0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
     9   1    -0.00   0.00   0.01     0.11   0.39   0.90    -0.00  -0.01  -0.02
    10   1    -0.15  -0.11   0.16    -0.06  -0.04   0.06     0.01   0.00  -0.01
    11   1     0.00  -0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    12   1    -0.00   0.00   0.00    -0.01  -0.00  -0.00     0.00  -0.00   0.00
    13   1     0.00  -0.00  -0.00     0.00  -0.00  -0.02     0.00  -0.00   0.00
    14   1    -0.07  -0.10  -0.25    -0.01  -0.02  -0.04     0.01  -0.01  -0.02
    15   1     0.24  -0.04   0.05    -0.04   0.01  -0.00    -0.42   0.08  -0.09
    16   1    -0.11  -0.09   0.14     0.05   0.04  -0.05    -0.22  -0.20   0.29
    17   1    -0.04   0.45  -0.00     0.00  -0.01  -0.00    -0.01  -0.12   0.00
    18   1    -0.32  -0.20   0.36     0.03   0.02  -0.03     0.29   0.19  -0.35
    19   1     0.51  -0.13   0.12     0.02  -0.01   0.01     0.57  -0.14   0.15
                     46                     47                     48
                      A                      A                      A
 Frequencies --   3097.0886              3099.9281              3107.1690
 Red. masses --      1.1018                 1.1008                 1.1009
 Frc consts  --      6.2265                 6.2323                 6.2624
 IR Inten    --     33.0354                52.3696                28.8106
 RamAct Fr= 1--     78.5949               104.7289                51.6741
  Dep-P Fr= 1--      0.7496                 0.6104                 0.5674
  Dep-U Fr= 1--      0.8569                 0.7581                 0.7240
 Alpha2 Fr= 1--      0.0005                 0.2690                 0.1784
 Beta2  Fr= 1--     11.2248                13.2317                 6.2352
 AlphaG Fr= 1--     -0.0152                -0.1483                 0.2363
 Gamma2 Fr= 1--    -14.6738                 6.6912                 0.7391
 Delta2 Fr= 1--     -8.5152                 5.6309                -1.7164
 Raman1 Fr= 1--     314.380                418.916                206.696
 ROA1   Fr= 1--   -1681.171                822.542                 16.034
 CID1   Fr= 1--      -5.348                  1.964                  0.078
 Raman2 Fr= 1--     134.698                158.780                 74.822
 ROA2   Fr= 1--    -284.050                115.542                 31.471
 CID2   Fr= 1--      -2.109                  0.728                  0.421
 Raman3 Fr= 1--     269.395                317.561                149.645
 ROA3   Fr= 1--   -1681.171                822.542                 16.034
 CID3   Fr= 1--      -6.241                  2.590                  0.107
 RC180  Fr= 1--       0.714                  0.516                  0.448
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.01   0.00    -0.05   0.02   0.00    -0.01  -0.08   0.03
     2   6     0.00   0.00  -0.00    -0.01  -0.01   0.01    -0.01  -0.01   0.01
     3   6    -0.00  -0.00  -0.01     0.00   0.00   0.00    -0.00  -0.00   0.00
     4   6    -0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
     5   8     0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     6   6    -0.04  -0.00  -0.08    -0.06  -0.01   0.03    -0.01  -0.00   0.01
     7   7     0.00   0.00   0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
     8   8    -0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
     9   1     0.01   0.03   0.07    -0.01  -0.02  -0.04    -0.00  -0.00  -0.01
    10   1    -0.03  -0.02   0.03     0.11   0.08  -0.12     0.08   0.06  -0.09
    11   1    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
    12   1    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
    13   1    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.01
    14   1     0.18   0.30   0.70    -0.04  -0.04  -0.09    -0.02  -0.03  -0.06
    15   1     0.47  -0.09   0.07     0.47  -0.10   0.10     0.07  -0.01   0.02
    16   1    -0.20  -0.16   0.22     0.31   0.28  -0.40     0.08   0.07  -0.10
    17   1    -0.01   0.05   0.00     0.01  -0.28  -0.00    -0.07   0.81   0.01
    18   1     0.05   0.04  -0.06     0.14   0.10  -0.18     0.32   0.18  -0.37
    19   1     0.08  -0.02   0.02     0.46  -0.11   0.12    -0.12   0.01  -0.02
                     49                     50                     51
                      A                      A                      A
 Frequencies --   3489.2402              3558.4042              3711.1947
 Red. masses --      1.0491                 1.0922                 1.0639
 Frc consts  --      7.5257                 8.1482                 8.6336
 IR Inten    --      1.1706                 4.6949                51.5040
 RamAct Fr= 1--    111.5301                47.5158               118.2531
  Dep-P Fr= 1--      0.0935                 0.6424                 0.2254
  Dep-U Fr= 1--      0.1711                 0.7823                 0.3679
 Alpha2 Fr= 1--      1.9838                 0.0922                 1.4999
 Beta2  Fr= 1--      3.1796                 6.1950                 7.2509
 AlphaG Fr= 1--      0.2804                 0.0921                -0.0095
 Gamma2 Fr= 1--      0.4061                 0.4703                -1.6605
 Delta2 Fr= 1--     -0.5503                 1.7605                -0.8455
 Raman1 Fr= 1--     446.120                190.063                473.012
 ROA1   Fr= 1--      21.375                101.484               -186.466
 CID1   Fr= 1--       0.048                  0.534                 -0.394
 Raman2 Fr= 1--      38.155                 74.339                 87.011
 ROA2   Fr= 1--      14.148                 -2.798                -33.088
 CID2   Fr= 1--       0.371                 -0.038                 -0.380
 Raman3 Fr= 1--      76.310                148.679                174.022
 ROA3   Fr= 1--      21.375                101.484               -186.466
 CID3   Fr= 1--       0.280                  0.683                 -1.072
 RC180  Fr= 1--      -0.658                  0.565                 -0.264
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
     2   6    -0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
     3   6     0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
     4   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     5   8     0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.04  -0.02   0.04
     6   6     0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
     7   7     0.04  -0.03  -0.02    -0.04  -0.01  -0.07    -0.00  -0.00  -0.00
     8   8    -0.00   0.00   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
     9   1     0.00   0.00   0.01     0.00   0.01   0.02     0.00   0.00   0.00
    10   1    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    11   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.68   0.34  -0.64
    12   1    -0.54   0.16  -0.39     0.59  -0.18   0.38     0.00  -0.00   0.00
    13   1    -0.05   0.29   0.66    -0.09   0.28   0.62    -0.00   0.00   0.00
    14   1     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    15   1    -0.00  -0.00   0.00     0.00   0.00   0.00     0.00   0.00  -0.00
    16   1    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
    17   1    -0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    18   1     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    19   1    -0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  8 and mass  15.99491
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  7 and mass  14.00307
 Atom     8 has atomic number  8 and mass  15.99491
 Atom     9 has atomic number  1 and mass   1.00783
 Atom    10 has atomic number  1 and mass   1.00783
 Atom    11 has atomic number  1 and mass   1.00783
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Molecular mass:   117.07898 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   757.782141010.508451267.05896
           X            0.99831  -0.04791   0.03290
           Y            0.04773   0.99884   0.00605
           Z           -0.03315  -0.00447   0.99944
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.11430     0.08571     0.06836
 Rotational constants (GHZ):           2.38161     1.78597     1.42435
 Zero-point vibrational energy     431688.5 (Joules/Mol)
                                  103.17602 (Kcal/Mol)
 Warning -- explicit consideration of  13 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     56.05   132.62   254.84   318.29   351.98
          (Kelvin)            355.49   393.70   426.75   510.84   561.82
                              654.02   756.86   888.90   965.75  1062.19
                             1180.13  1215.33  1324.61  1350.89  1374.91
                             1401.90  1565.38  1616.50  1634.23  1652.79
                             1735.99  1788.88  1846.52  1904.99  1947.94
                             1994.22  2029.94  2050.39  2061.56  2140.82
                             2152.36  2167.79  2178.84  2404.37  2592.66
                             4363.98  4365.08  4372.54  4417.23  4451.29
                             4456.02  4460.11  4470.52  5020.24  5119.75
                             5339.58
 
 Zero-point correction=                           0.164421 (Hartree/Particle)
 Thermal correction to Energy=                    0.173888
 Thermal correction to Enthalpy=                  0.174833
 Thermal correction to Gibbs Free Energy=         0.130080
 Sum of electronic and zero-point Energies=           -402.405740
 Sum of electronic and thermal Energies=              -402.396273
 Sum of electronic and thermal Enthalpies=            -402.395329
 Sum of electronic and thermal Free Energies=         -402.440082
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  109.117             34.316             94.190
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             40.188
 Rotational               0.889              2.981             28.364
 Vibrational            107.339             28.355             25.638
 Vibration     1          0.594              1.981              5.311
 Vibration     2          0.602              1.955              3.613
 Vibration     3          0.628              1.871              2.358
 Vibration     4          0.648              1.809              1.949
 Vibration     5          0.660              1.772              1.769
 Vibration     6          0.661              1.768              1.751
 Vibration     7          0.676              1.722              1.573
 Vibration     8          0.690              1.680              1.436
 Vibration     9          0.731              1.565              1.144
 Vibration    10          0.758              1.491              0.998
 Vibration    11          0.813              1.351              0.782
 Vibration    12          0.881              1.192              0.596
 Vibration    13          0.978              0.994              0.420
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.147037D-59        -59.832572       -137.769589
 Total V=0       0.625139D+16         15.795977         36.371581
 Vib (Bot)       0.837470D-73        -73.077031       -168.266082
 Vib (Bot)    1  0.531157D+01          0.725223          1.669888
 Vib (Bot)    2  0.222968D+01          0.348243          0.801860
 Vib (Bot)    3  0.113506D+01          0.055020          0.126688
 Vib (Bot)    4  0.893680D+00         -0.048818         -0.112407
 Vib (Bot)    5  0.799801D+00         -0.097018         -0.223393
 Vib (Bot)    6  0.791003D+00         -0.101822         -0.234453
 Vib (Bot)    7  0.704950D+00         -0.151842         -0.349629
 Vib (Bot)    8  0.642395D+00         -0.192198         -0.442552
 Vib (Bot)    9  0.517933D+00         -0.285727         -0.657910
 Vib (Bot)   10  0.459609D+00         -0.337612         -0.777380
 Vib (Bot)   11  0.375850D+00         -0.424985         -0.978565
 Vib (Bot)   12  0.305139D+00         -0.515502         -1.186988
 Vib (Bot)   13  0.237252D+00         -0.624790         -1.438633
 Vib (V=0)       0.356056D+03          2.551518          5.875088
 Vib (V=0)    1  0.583506D+01          0.766045          1.763884
 Vib (V=0)    2  0.278506D+01          0.444834          1.024269
 Vib (V=0)    3  0.174031D+01          0.240626          0.554063
 Vib (V=0)    4  0.152404D+01          0.182997          0.421367
 Vib (V=0)    5  0.144323D+01          0.159335          0.366883
 Vib (V=0)    6  0.143578D+01          0.157088          0.361709
 Vib (V=0)    7  0.136427D+01          0.134899          0.310616
 Vib (V=0)    8  0.131405D+01          0.118611          0.273111
 Vib (V=0)    9  0.121990D+01          0.086324          0.198768
 Vib (V=0)   10  0.117915D+01          0.071568          0.164791
 Vib (V=0)   11  0.112551D+01          0.051350          0.118237
 Vib (V=0)   12  0.108576D+01          0.035732          0.082276
 Vib (V=0)   13  0.105343D+01          0.022607          0.052055
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.497935D+08          7.697172         17.723394
 Rotational      0.352603D+06          5.547286         12.773098
 
                                                          ROA calculations.
                                                             IR Spectrum
 
     3     3 3        33333333                                         1   1  1111111111 1111111                                     
     7     5 4        11000000                                         8   6  5544444333 2221110  9999 88  7  66  5  4 33222221      
     1     5 8        00997333                                         0   7  1098321852 8404328  7532 42  3  71  2  5 95974427  9 3 
     1     8 9        70740943                                         2   1  4768351644 3379648  4691 50  8  18  6  5 05747517  2 9 
 
     X     X X        XXXXXXXX                                         X   X  XXXXXXXXXX XXXXXXX  XXXX XX  X  XX  X  X XXXXXXXX  X X 
     X                XXX   X                                          X   X                XXX      X X   X   X             X       
     X                 XX                                              X   X                XXX      X X   X   X                     
     X                 X                                               X                    XXX      X X       X                     
                                                                       X                     XX      X X       X                     
                                                                       X                     X       X X       X                     
                                                                       X                     X       X                               
                                                                       X                     X                                       
                                                                       X                     X                                       
                                                                       X                     X                                       
                                                                       X                     X                                       
                                                                       X                     X                                       
                                                                       X                                                             
                                                                       X                                                             
                                                                       X                                                             
                                                                       X                                                             
                                                                       X                                                             
                                                                       X                                                             
                                                                       X                                                             
                                                                       X                                                             
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000004546   -0.000003305    0.000003751
      2        6           0.000000605    0.000003259   -0.000005464
      3        6          -0.000007992    0.000009056   -0.000013643
      4        6          -0.000001127   -0.000003068    0.000009449
      5        8           0.000001732   -0.000007233   -0.000008233
      6        6           0.000005715   -0.000000859    0.000004602
      7        7           0.000004557   -0.000013873    0.000003218
      8        8           0.000004035    0.000007379   -0.000008715
      9        1           0.000001721   -0.000000424    0.000005609
     10        1          -0.000004859   -0.000002689    0.000004653
     11        1           0.000002239    0.000000517   -0.000001485
     12        1          -0.000004999    0.000002769   -0.000002319
     13        1           0.000000048    0.000001534    0.000006365
     14        1           0.000002121   -0.000000477    0.000001113
     15        1           0.000002697   -0.000001628    0.000000880
     16        1           0.000002521    0.000003466   -0.000002068
     17        1          -0.000003605    0.000002314    0.000004097
     18        1          -0.000000056    0.000003540    0.000000360
     19        1          -0.000000808   -0.000000276   -0.000002172
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000013873 RMS     0.000004839
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.821733D+02  0.502224D+00 -0.135627D+01
      2   0.502224D+00  0.835440D+02  0.171491D+01
      3  -0.135627D+01  0.171491D+01  0.750317D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.175509D+01 -0.269401D+01 -0.152091D+01
      2   0.145909D+02 -0.245919D+01  0.266384D+02
      3   0.119522D+02 -0.280548D+02  0.282233D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.793804D+02 -0.268126D+02  0.283856D+02
      2  -0.398084D+02  0.132341D+02 -0.232661D+02
      3  -0.395720D+02  0.135786D+02 -0.511946D+01
      4  -0.158345D+02  0.391204D+02  0.319859D+01
      5   0.197380D+02  0.284143D+01  0.428928D+02
      6   0.774425D+01 -0.161558D+02  0.882230D+01
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    57 ND12= 1 LenFil=    2055:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.630507D+01  0.226648D+01 -0.391030D+01  0.276395D+01  0.947227D+00
      2   0.226648D+01  0.118889D+01 -0.134002D-01  0.947227D+00 -0.673012D+01
      3  -0.391030D+01 -0.134002D-01  0.203386D+01  0.298246D+00 -0.906267D+00
                 6             7             8             9            10 
      1   0.298246D+00 -0.282700D+01  0.134318D+00  0.254814D+01  0.578595D+01
      2  -0.906267D+00  0.134318D+00  0.149181D-01  0.329170D+01 -0.355738D+01
      3   0.287624D+01  0.254814D+01  0.329170D+01  0.603580D+00  0.340437D+01
                11            12            13            14            15 
      1  -0.355738D+01  0.340437D+01 -0.461109D+01 -0.199406D+01  0.735620D+00
      2  -0.118778D+01  0.191634D+00 -0.199406D+01  0.408469D+01  0.121453D+01
      3   0.191634D+00 -0.291319D+01  0.735620D+00  0.121453D+01 -0.401540D+01
                16            17            18            19            20 
      1   0.556282D+01  0.232702D+00 -0.350860D+01 -0.583127D+01  0.465463D+01
      2   0.232702D+00  0.101081D+01 -0.461418D+01  0.465463D+01  0.161231D+01
      3  -0.350860D+01 -0.461418D+01 -0.911580D+00 -0.226950D+01 -0.881148D+00
                21            22            23            24            25 
      1  -0.226950D+01  0.258265D+01  0.123129D+01 -0.824444D-01 -0.335171D+01
      2  -0.881148D+00  0.123129D+01 -0.162573D+01  0.715268D+00 -0.132002D+01
      3   0.120691D+01 -0.824444D-01  0.715268D+00  0.308933D+01  0.161554D+01
                26            27            28            29            30 
      1  -0.132002D+01  0.161554D+01 -0.665289D-01 -0.230443D+01 -0.804220D-02
      2  -0.112497D+01  0.364763D+01 -0.230443D+01  0.184368D+00  0.130271D+01
      3   0.364763D+01  0.390821D+01 -0.804220D-02  0.130271D+01 -0.152046D+00
                31            32            33            34            35 
      1  -0.174916D+01 -0.448227D+00  0.187348D+01 -0.188960D+01  0.199891D+01
      2  -0.448227D+00 -0.670870D+00  0.638360D+00  0.199891D+01  0.669756D+00
      3   0.187348D+01  0.638360D+00 -0.299553D+01  0.587207D+00 -0.254502D+01
                36            37            38            39            40 
      1   0.587207D+00  0.276464D+01  0.560243D+00 -0.245106D+01  0.567713D-01
      2  -0.254502D+01  0.560243D+00  0.146437D+01 -0.128724D+01  0.517530D+00
      3  -0.267066D+01 -0.245106D+01 -0.128724D+01  0.102603D+01 -0.152063D+01
                41            42            43            44            45 
      1   0.517530D+00 -0.152063D+01 -0.375408D+01 -0.264855D+01  0.441329D+00
      2  -0.365959D+01 -0.199548D+01 -0.264855D+01 -0.369746D+01 -0.374063D+00
      3  -0.199548D+01  0.432608D+00  0.441329D+00 -0.374063D+00 -0.258280D+01
                46            47            48            49            50 
      1  -0.652412D+01  0.337419D+01 -0.218307D+01  0.220906D+01  0.200200D+01
      2   0.337419D+01  0.159236D+01  0.909952D-01  0.200200D+01 -0.309447D+01
      3  -0.218307D+01  0.909952D-01  0.288392D+01 -0.226885D+00 -0.486203D+00
                51            52            53            54            55 
      1  -0.226885D+00 -0.250948D+01 -0.507227D-02  0.247486D+01  0.441992D+01
      2  -0.486203D+00 -0.507227D-02  0.296361D-01  0.465455D+01 -0.207904D+01
      3   0.388065D+01  0.247486D+01  0.465455D+01  0.323337D+01  0.255099D+01
                56            57            58            59            60 
      1  -0.207904D+01  0.255099D+01 -0.110135D+01  0.531921D+00 -0.352092D+00
      2   0.154809D+01 -0.263473D+00  0.531921D+00  0.439280D+01 -0.168178D+01
      3  -0.263473D+00  0.169325D+01 -0.352092D+00 -0.168178D+01 -0.132722D+01
                61            62            63            64            65 
      1   0.268796D+01 -0.427379D+00  0.168636D+01 -0.371996D+01  0.183556D+01
      2  -0.427379D+00 -0.180233D+01 -0.848770D+00  0.183556D+01 -0.152982D+01
      3   0.168636D+01 -0.848770D+00 -0.342306D+01  0.300356D+01 -0.764712D+00
                66            67            68            69            70 
      1   0.300356D+01  0.269376D+01 -0.135317D+01 -0.102159D+01  0.440309D+01
      2  -0.764712D+00 -0.135317D+01  0.368300D+01  0.189205D+01 -0.635294D+00
      3  -0.167978D+01 -0.102159D+01  0.189205D+01  0.235371D+01 -0.272928D+01
                71            72            73            74            75 
      1  -0.635294D+00 -0.272928D+01  0.305029D+00 -0.889004D+00 -0.104546D+01
      2   0.274398D+01  0.222742D+01 -0.889004D+00 -0.182744D+00 -0.667495D-01
      3   0.222742D+01  0.753714D+01 -0.104546D+01 -0.667495D-01 -0.625961D+00
                76            77            78            79            80 
      1  -0.118688D+01 -0.275052D+00 -0.216698D+00 -0.107553D+01  0.510714D-01
      2  -0.275052D+00 -0.101154D+01 -0.164234D+01  0.510714D-01 -0.170504D+01
      3  -0.216698D+00 -0.164234D+01 -0.192812D+01 -0.103230D+01 -0.162863D+01
                81            82            83            84            85 
      1  -0.103230D+01  0.333253D+01  0.166944D+01 -0.266417D+01  0.230520D+01
      2  -0.162863D+01  0.166944D+01  0.163613D+01 -0.740963D+00  0.167979D+01
      3  -0.760093D+01 -0.266417D+01 -0.740963D+00  0.263131D+01 -0.858897D+00
                86            87            88            89            90 
      1   0.167979D+01 -0.858897D+00 -0.337943D+01 -0.724550D+00  0.280663D+01
      2   0.149760D+01 -0.154104D+01 -0.724550D+00 -0.175717D+01  0.190403D+01
      3  -0.154104D+01  0.195369D+01  0.280663D+01  0.190403D+01 -0.407723D+01
                91            92            93            94            95 
      1  -0.467450D+01 -0.307716D+01  0.143093D+01 -0.204490D+01 -0.200314D+01
      2  -0.307716D+01 -0.311432D+01  0.993540D+00 -0.200314D+01 -0.316761D+01
      3   0.143093D+01  0.993540D+00 -0.136022D+01  0.729267D+00  0.790102D+00
                96            97            98            99           100 
      1   0.729267D+00  0.301232D+01  0.222628D+01 -0.182693D+01 -0.480779D+01
      2   0.790102D+00  0.222628D+01  0.261648D+01 -0.149681D+01  0.303724D+01
      3  -0.916853D+00 -0.182693D+01 -0.149681D+01  0.161749D+01 -0.277958D+01
               101           102           103           104           105 
      1   0.303724D+01 -0.277958D+01  0.195814D+01 -0.152488D+01  0.769555D+00
      2  -0.252328D+01  0.147920D+01 -0.152488D+01  0.196249D+01 -0.867483D+00
      3   0.147920D+01 -0.208559D+01  0.769555D+00 -0.867483D+00  0.765521D+00
               106           107           108           109           110 
      1  -0.338906D+01  0.136769D+01 -0.204866D+01 -0.211423D+00  0.712875D+00
      2   0.136769D+01 -0.176479D+01  0.142219D+01  0.712875D+00 -0.410629D+00
      3  -0.204866D+01  0.142219D+01 -0.226431D+01  0.790823D-01 -0.479403D+00
               111           112           113           114           115 
      1   0.790823D-01  0.899029D+00 -0.409865D+00 -0.536520D+00  0.105413D+01
      2  -0.479403D+00 -0.409865D+00  0.244074D+01  0.105708D+01 -0.557741D+00
      3  -0.395777D-01 -0.536520D+00  0.105708D+01  0.190248D+01 -0.141379D+00
               116           117           118           119           120 
      1  -0.557741D+00 -0.141379D+00 -0.175067D+00 -0.871597D+00 -0.833664D+00
      2   0.280662D+01  0.168390D+01 -0.871597D+00 -0.977938D+00 -0.516762D+00
      3   0.168390D+01  0.354289D+01 -0.833664D+00 -0.516762D+00 -0.122395D+01
               121           122           123           124           125 
      1  -0.621506D+00 -0.357559D+00 -0.105740D+00 -0.109730D+01  0.789406D-01
      2  -0.357559D+00 -0.244735D+01 -0.212862D+01  0.789406D-01 -0.334335D+01
      3  -0.105740D+00 -0.212862D+01 -0.245507D+01 -0.608850D+00 -0.350448D+01
               126           127           128           129           130 
      1  -0.608850D+00  0.943420D+01 -0.350966D+01  0.891630D+00 -0.171647D+01
      2  -0.350448D+01 -0.350966D+01  0.269809D+01 -0.134293D+00  0.168453D+01
      3  -0.660093D+01  0.891630D+00 -0.134293D+00  0.104400D+01 -0.123906D+00
               131           132           133           134           135 
      1   0.168453D+01 -0.123906D+00  0.130286D+01 -0.501111D+00  0.101803D+01
      2  -0.124048D+01  0.224685D+00 -0.501111D+00  0.591497D+00 -0.982262D+00
      3   0.224685D+00 -0.541862D+00  0.101803D+01 -0.982262D+00  0.159073D+00
               136           137           138           139           140 
      1  -0.183035D+01 -0.117070D+01  0.132395D+01 -0.103666D+01 -0.100245D+01
      2  -0.117070D+01 -0.200287D+01  0.720214D+00 -0.100245D+01 -0.301680D+01
      3   0.132395D+01  0.720214D+00 -0.166436D+01  0.490853D+00  0.148249D+01
               141           142           143           144           145 
      1   0.490853D+00  0.154141D+01  0.495432D+00 -0.124988D+01  0.614930D+00
      2   0.148249D+01  0.495432D+00  0.272895D+01 -0.221458D+01  0.902042D+00
      3  -0.173755D+01 -0.124988D+01 -0.221458D+01  0.270281D+01  0.454814D+00
               146           147           148           149           150 
      1   0.902042D+00  0.454814D+00  0.131614D+01  0.308669D+00  0.476508D+00
      2  -0.141064D+00 -0.110072D-01  0.308669D+00  0.890451D+01  0.159945D+01
      3  -0.110072D-01 -0.357125D+00  0.476508D+00  0.159945D+01  0.168496D+01
               151           152           153           154           155 
      1   0.112473D+00  0.807357D-01 -0.326547D+00 -0.187036D+01 -0.858535D+00
      2   0.807357D-01  0.636158D+00  0.860543D+00 -0.858535D+00 -0.110379D+01
      3  -0.326547D+00  0.860543D+00  0.303714D+00  0.155711D+01  0.409294D+00
               156           157           158           159           160 
      1   0.155711D+01 -0.113082D+01 -0.680365D+00  0.268873D+00  0.155009D+01
      2   0.409294D+00 -0.680365D+00 -0.460903D+00  0.110229D+01  0.325313D+00
      3  -0.269274D+01  0.268873D+00  0.110229D+01 -0.209062D+01 -0.141626D+01
               161           162           163           164           165 
      1   0.325313D+00 -0.141626D+01  0.935925D+01 -0.695179D+00  0.344841D+01
      2   0.110033D+01 -0.102807D+01 -0.695179D+00  0.124963D+01 -0.284344D-01
      3  -0.102807D+01  0.499060D+01  0.344841D+01 -0.284344D-01  0.227525D+01
               166           167           168           169           170 
      1  -0.158586D+01  0.114584D+01 -0.596997D+00  0.204603D+01 -0.171670D+00
      2   0.114584D+01  0.159617D+00  0.532925D+00 -0.171670D+00  0.245968D+00
      3  -0.596997D+00  0.532925D+00 -0.930958D+00  0.171059D+01 -0.455111D+00
               171 
      1   0.171059D+01
      2  -0.455111D+00
      3   0.153261D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.619696D+01  0.165588D+01 -0.127942D+01  0.139501D+00 -0.108807D+02
      2   0.617717D+00 -0.240388D+01  0.136412D+02 -0.249318D+01 -0.321070D+01
      3  -0.896819D+01 -0.312547D+01 -0.346778D+01  0.214971D+01  0.133065D+02
                 6             7             8             9            10 
      1  -0.716377D+01 -0.139132D+01 -0.761749D+00  0.382354D+01  0.133396D+01
      2   0.529480D+01  0.737272D+01  0.630381D+01 -0.243642D+01  0.108717D+02
      3   0.199342D+01 -0.253039D+01 -0.544591D-01 -0.424074D+01  0.535031D+01
                11            12            13            14            15 
      1  -0.145562D+00 -0.400951D+00 -0.132584D+01 -0.389952D+00 -0.375608D+01
      2  -0.147465D+00  0.125299D+00 -0.345965D+01  0.105454D+01 -0.432130D+01
      3  -0.103339D+01 -0.196786D+01  0.588429D+01 -0.712910D+01  0.577198D+00
                16            17            18            19            20 
      1  -0.794408D+00  0.314865D+01  0.127910D+01 -0.311757D+01 -0.246610D+01
      2  -0.418758D+01 -0.475160D+01 -0.321736D+01 -0.578187D+01  0.983366D+00
      3   0.256713D+01  0.342364D+00  0.538259D+01 -0.215420D+00 -0.194421D+01
                21            22            23            24            25 
      1  -0.868868D+00 -0.118182D+01  0.360861D+01 -0.277711D+01  0.279021D+00
      2   0.130822D+01  0.188919D+01 -0.733168D+00  0.207782D+01 -0.102242D+02
      3   0.174093D+01  0.336838D+01 -0.134912D+01  0.140497D+01 -0.223219D+01
                26            27            28            29            30 
      1   0.348196D+01 -0.506900D+01  0.132781D+01  0.512043D+01  0.186952D+01
      2   0.688385D-01 -0.128556D+00 -0.100309D+02 -0.342407D+01  0.243921D+01
      3   0.719301D+00  0.769741D+00 -0.898135D+01 -0.430086D+01  0.524102D+00
                31            32            33            34            35 
      1   0.257794D+01 -0.564638D+01 -0.168996D+01  0.139490D+01  0.855622D+00
      2   0.244400D+01  0.254748D+01 -0.131474D+01 -0.449129D+01 -0.193625D+01
      3   0.275049D+01  0.459012D+01 -0.557327D+01 -0.515388D+01 -0.105935D+02
                36            37            38            39            40 
      1   0.384820D+01 -0.302544D+01 -0.102197D+01  0.657350D-02 -0.347623D+00
      2   0.114549D+02  0.495584D+01  0.365876D+01 -0.454894D-01 -0.140983D+01
      3  -0.473542D+00 -0.169460D+01  0.214858D+00  0.551862D+00  0.530180D+01
                41            42            43            44            45 
      1  -0.195993D-01 -0.465580D+01  0.328684D+01  0.390535D+01 -0.478773D+01
      2   0.269645D+01  0.926809D+00 -0.466490D+01  0.115235D+01  0.496794D+01
      3  -0.691382D+01 -0.167938D+01  0.192275D+01 -0.618735D+00 -0.300849D+01
                46            47            48            49            50 
      1  -0.533643D+01 -0.615850D+00  0.546803D+01 -0.111122D+01  0.959313D+00
      2  -0.656070D+01  0.904977D+00  0.594161D+01  0.329367D+00  0.103421D+00
      3   0.566960D+01 -0.137741D+02  0.377912D+01 -0.655531D+01  0.219133D+01
                51            52            53            54            55 
      1   0.597552D+01  0.349952D+01  0.125933D+02  0.497823D+01 -0.399533D+01
      2   0.648747D+01  0.117392D+01  0.818542D+01  0.613590D+01  0.525094D+01
      3   0.987245D+00  0.432634D+01  0.133590D+00 -0.132734D+02  0.936286D+01
                56            57            58            59            60 
      1  -0.249543D-01 -0.489455D+01 -0.861748D-01 -0.247554D+01  0.561542D+00
      2  -0.133410D+01  0.515530D+01 -0.112625D+00  0.175459D+01 -0.233724D+00
      3  -0.101952D+02  0.657510D+01  0.165853D+01  0.318482D+01 -0.909774D+00
                61            62            63            64            65 
      1  -0.494580D+01  0.977604D+01  0.955504D+01  0.505601D+00 -0.389166D+01
      2  -0.729880D-02  0.889963D+00  0.203126D+01  0.954547D-01  0.207570D+01
      3   0.439016D+01 -0.130214D+01  0.426145D+01  0.363521D+01 -0.520260D+01
                66            67            68            69            70 
      1   0.510936D+00 -0.894028D+00  0.357853D+01 -0.146476D+01 -0.422713D+00
      2   0.508474D+01  0.466191D+00 -0.477670D+01 -0.205189D+01 -0.213522D+01
      3  -0.132940D+01  0.167350D+01  0.494288D+01  0.476102D+01  0.458806D+01
                71            72            73            74            75 
      1   0.704030D+01  0.130530D+00  0.143524D+01  0.490828D+00  0.463302D+00
      2  -0.297878D+01 -0.139028D+02 -0.557583D-01 -0.717654D+00 -0.228763D+00
      3   0.798854D+01  0.284668D+01 -0.549227D-01 -0.117670D+01 -0.882721D+00
                76            77            78            79            80 
      1   0.291550D+00  0.254018D+01  0.128822D+01 -0.229898D-01  0.483064D+01
      2  -0.168454D+01 -0.530192D-01 -0.198463D+00 -0.293208D+01  0.357352D+00
      3   0.140032D+01 -0.505674D+00 -0.818405D+00  0.458955D+00 -0.598904D+00
                81            82            83            84            85 
      1   0.304230D+01 -0.593750D+00 -0.153799D+01 -0.352802D+00 -0.471610D+00
      2  -0.855677D-01 -0.122605D+01 -0.199906D-01  0.390976D+01  0.157688D+01
      3  -0.116890D+01 -0.161773D+01 -0.381691D+01  0.655118D+00  0.364448D+00
                86            87            88            89            90 
      1  -0.104345D+01 -0.828915D+00 -0.103751D+00  0.246423D+01 -0.134631D+00
      2  -0.111781D+01  0.294428D+01 -0.847430D+00  0.242882D+01 -0.460449D+01
      3  -0.257081D+01  0.192048D+01 -0.101582D+01  0.312803D+01 -0.195698D+01
                91            92            93            94            95 
      1   0.300768D+01  0.191133D+01 -0.279255D+01  0.214748D+01  0.225493D+01
      2  -0.266370D+01 -0.282117D+01  0.321619D+01 -0.168832D+01 -0.229899D+01
      3   0.184451D+01 -0.214685D+01 -0.674423D+00  0.828559D+00 -0.217346D+01
                96            97            98            99           100 
      1  -0.194978D+01 -0.292528D+01 -0.166407D+01  0.306824D+01  0.309875D+01
      2   0.232546D+01  0.271773D+01  0.284530D+01 -0.420022D+01 -0.535398D+01
      3   0.398791D+00 -0.103486D+01  0.224805D+01 -0.339993D+00 -0.104872D+02
               101           102           103           104           105 
      1   0.233738D-01  0.391438D+01 -0.231374D+00 -0.292338D+00 -0.146440D+01
      2   0.225656D+01 -0.570599D+00  0.186120D+01 -0.130004D+01  0.148383D+00
      3   0.412390D+01 -0.593121D+01  0.522050D+01 -0.218535D+01  0.146195D+01
               106           107           108           109           110 
      1   0.299288D+01 -0.179632D+00  0.268707D+01 -0.883494D+00  0.137522D+01
      2  -0.387495D+01  0.835615D+00 -0.917089D+00  0.464362D-01  0.482707D+00
      3  -0.781803D+01  0.193133D+01 -0.400786D+01 -0.232395D+00  0.136650D+00
               111           112           113           114           115 
      1   0.901977D+00  0.166059D+01 -0.481642D+01 -0.640607D+01  0.121939D+01
      2   0.310805D-01  0.499467D+00 -0.943439D+00 -0.118014D+01 -0.131678D+01
      3   0.623460D+00  0.217457D+01 -0.587363D+00 -0.629558D+00  0.350237D+01
               116           117           118           119           120 
      1  -0.547906D+01 -0.124772D+02 -0.835607D+00  0.202040D+00 -0.255502D+01
      2  -0.120580D+01 -0.145108D+01 -0.205812D+01 -0.106851D+01 -0.162109D+01
      3  -0.151651D+00 -0.102608D+00  0.290445D+01  0.233927D+01  0.217839D+01
               121           122           123           124           125 
      1  -0.195640D-01 -0.188249D+01 -0.505574D+01 -0.174175D+01 -0.169348D+01
      2  -0.113573D+01 -0.361985D+01 -0.395162D+01 -0.416209D+01 -0.516063D+01
      3   0.334837D+01  0.461173D+01  0.405741D+01  0.293689D+01  0.535213D+01
               126           127           128           129           130 
      1  -0.111671D+02  0.315909D+01 -0.886143D+00  0.278350D+01 -0.109220D+01
      2  -0.106517D+02  0.487100D+01 -0.126674D+01  0.489759D+01 -0.765042D+00
      3   0.770466D+01 -0.113477D+02 -0.203301D+01 -0.168933D+01  0.204973D+01
               131           132           133           134           135 
      1   0.850678D+00 -0.210520D+01  0.161981D+01 -0.861516D+00  0.853942D+00
      2   0.121902D+01 -0.160665D+01  0.128932D+01 -0.184825D+01  0.991930D+00
      3  -0.392820D+00 -0.219869D+00 -0.182847D+01 -0.698094D+00  0.562487D+00
               136           137           138           139           140 
      1   0.311339D+01  0.123620D+01 -0.421611D+01  0.156436D+01  0.324035D+01
      2   0.292153D+01  0.941263D+00 -0.152860D+01  0.124670D+01  0.220054D+01
      3   0.796028D+01  0.480792D+01 -0.427062D+01  0.594227D+01  0.669692D+01
               141           142           143           144           145 
      1  -0.538252D+01 -0.293729D+01 -0.287748D+01  0.652817D+01  0.728551D+00
      2  -0.226600D+01 -0.373527D+01 -0.332988D+01  0.359580D+01  0.101411D+01
      3  -0.415309D+01 -0.513206D+01 -0.513130D+01  0.667617D+01 -0.129139D+01
               146           147           148           149           150 
      1  -0.986014D+00  0.683736D+00 -0.111059D+01  0.119223D+02 -0.256857D+01
      2  -0.103677D+01 -0.659662D+00 -0.158194D+01  0.350638D+01  0.255147D+01
      3   0.641069D+00  0.123285D+00  0.402505D+01 -0.163835D+02 -0.169527D+01
               151           152           153           154           155 
      1   0.845735D+00  0.915848D+00  0.828308D+00 -0.264131D+01 -0.303881D+01
      2  -0.189648D+01  0.148889D+01  0.641705D+00  0.877055D+01  0.257139D+01
      3  -0.104473D+00 -0.662192D+00 -0.215449D+01  0.587351D+00  0.413063D+00
               156           157           158           159           160 
      1   0.200389D+01 -0.127346D+01 -0.190308D+01  0.163928D+01  0.195605D+01
      2  -0.642946D+01  0.298841D+01  0.310605D+01 -0.390966D+01 -0.765758D+01
      3   0.600782D+00  0.163524D+01  0.312984D-01 -0.155068D+01  0.315048D+00
               161           162           163           164           165 
      1   0.450363D+01 -0.472380D+01 -0.347811D+01  0.259974D+01 -0.124556D+01
      2  -0.286295D+01  0.110699D+02 -0.635563D+01  0.122981D+01  0.284399D+01
      3  -0.888916D+00  0.471154D+00  0.732822D+01 -0.570052D+01  0.199817D+01
               166           167           168           169           170 
      1   0.143553D+01 -0.469093D+00  0.293520D+00 -0.156072D+01  0.177456D+01
      2   0.102946D+01 -0.134749D+00 -0.172233D+01 -0.150174D+01 -0.725131D+00
      3  -0.213926D+01  0.878377D+00 -0.100500D+01  0.184247D+01 -0.114346D+01
               171 
      1  -0.140011D+01
      2   0.137780D+01
      3   0.205204D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.288720D+02  0.988151D+01 -0.240772D+02  0.123045D+02  0.119239D+02
      2   0.245522D+02 -0.340998D+01  0.504005D+01 -0.623469D+01 -0.180223D+02
      3   0.431982D+01 -0.647153D+01  0.190371D+02 -0.606978D+01  0.609842D+01
      4   0.391727D+01  0.549077D+01 -0.150328D+01  0.485834D+01 -0.211145D+02
      5  -0.255170D+02  0.527815D+01 -0.386706D+01  0.729498D+01 -0.131617D+01
      6   0.256523D+01  0.270589D+01  0.286301D-01  0.162946D+01 -0.114872D+02
                 6             7             8             9            10 
      1  -0.184741D+01 -0.189402D+02 -0.293267D+01  0.669526D+01  0.823265D+01
      2  -0.885255D+01  0.406501D+01 -0.670873D+01 -0.106471D+01 -0.287654D+01
      3   0.107000D+02  0.148752D+02  0.964140D+01 -0.563055D+01 -0.535611D+01
      4  -0.221743D+01 -0.652402D+00  0.341040D+00  0.120423D+02 -0.125528D+02
      5   0.779387D+01 -0.727510D+00  0.917948D+01  0.763955D+01  0.168446D+02
      6   0.924444D+00  0.192010D+01  0.606661D+00  0.823756D+01  0.572428D+01
                11            12            13            14            15 
      1  -0.127526D+02  0.137881D+02 -0.100046D+02 -0.236733D+01  0.280512D+01
      2   0.115109D+02 -0.823883D+01  0.107205D+02 -0.405842D+01 -0.138924D+01
      3   0.124166D+01 -0.554929D+01 -0.715850D+00  0.642575D+01 -0.141588D+01
      4  -0.257834D+01  0.243495D+01 -0.602475D+01  0.116440D+02  0.462468D+01
      5   0.300347D+01 -0.109269D+02  0.528357D+00  0.730930D+01 -0.127208D+02
      6  -0.848526D+00 -0.654464D+00  0.137079D+01 -0.168392D+01 -0.211962D+01
                16            17            18            19            20 
      1   0.113600D+02  0.133113D+01 -0.122747D+02 -0.108760D+02 -0.533534D+01
      2  -0.735421D+01 -0.240518D+01  0.942750D+01  0.806166D+01  0.699705D+01
      3  -0.400575D+01  0.107404D+01  0.284721D+01  0.281432D+01 -0.166171D+01
      4  -0.525135D+00  0.283294D+00 -0.133384D+02  0.161094D+01 -0.246174D+01
      5  -0.125969D+02 -0.138358D+02  0.159203D+01 -0.582873D+01 -0.701853D+00
      6  -0.291390D+01 -0.887323D-01  0.147492D+01 -0.763060D+01 -0.440437D+01
                21            22            23            24            25 
      1   0.314382D+01  0.223898D+01  0.835563D+01  0.317953D+01  0.881006D+00
      2   0.177068D+01 -0.102970D+00 -0.950400D+01  0.617583D+01  0.131324D+01
      3  -0.491450D+01 -0.213601D+01  0.114837D+01 -0.935535D+01 -0.219424D+01
      4  -0.311156D+00 -0.709815D+01 -0.107166D+01  0.109649D+01  0.406166D+01
      5   0.459132D+00  0.376726D+01 -0.116435D+01  0.975835D+00  0.177461D+01
      6   0.225257D+01  0.963916D+00  0.749821D+01 -0.612011D+01  0.207890D-01
                26            27            28            29            30 
      1   0.736210D+01  0.724699D+01 -0.111901D+01  0.288170D+01 -0.148777D+01
      2   0.304702D+01  0.113127D+02  0.152815D+01 -0.473003D+01 -0.638235D+01
      3  -0.104091D+02 -0.185597D+02 -0.409146D+00  0.184833D+01  0.787013D+01
      4   0.109729D+01 -0.142767D+01  0.316997D+01 -0.214273D+01 -0.712661D+01
      5  -0.145273D+01 -0.503620D+01  0.602918D+01 -0.643911D+01 -0.393606D+01
      6   0.200427D+01 -0.578677D+01 -0.254141D+01  0.460150D-01  0.820013D+00
                31            32            33            34            35 
      1   0.412460D+01  0.365696D+01 -0.572475D+01  0.836360D+01 -0.544778D+01
      2  -0.536102D+01 -0.846890D+01  0.885024D+01 -0.812643D+01 -0.435802D-01
      3   0.123642D+01  0.481193D+01 -0.312549D+01 -0.237164D+00  0.549136D+01
      4  -0.554921D+01 -0.252842D+01 -0.269442D+01 -0.116711D+02  0.463978D+01
      5  -0.147763D+02 -0.185715D+01  0.371000D+01 -0.971936D+01  0.502987D+01
      6  -0.319379D+01 -0.597421D+01 -0.123839D+01 -0.220347D+00 -0.278467D+01
                36            37            38            39            40 
      1   0.723275D-01  0.225652D-02  0.496954D+00  0.790172D+01 -0.154791D+01
      2   0.757035D+01 -0.914711D+00 -0.151616D+01 -0.206559D+01  0.141222D+01
      3  -0.764267D+01  0.912454D+00  0.101921D+01 -0.583613D+01  0.135692D+00
      4   0.610677D+01 -0.535135D+01 -0.420136D-01  0.104691D+02  0.729358D+01
      5   0.174941D+02  0.111251D+02  0.694389D+01  0.246757D+01  0.922647D+01
      6  -0.284702D+01  0.760134D+01  0.616413D+01 -0.123058D+01  0.621545D+01
                41            42            43            44            45 
      1  -0.137264D+02  0.257889D+01  0.110306D+02  0.500778D+01 -0.459258D+01
      2   0.241316D+02  0.910759D+00 -0.174114D+01  0.344903D+01 -0.487129D+00
      3  -0.104052D+02 -0.348965D+01 -0.928942D+01 -0.845681D+01  0.507971D+01
      4   0.123009D+02  0.866197D+01  0.171524D+02  0.152096D+02 -0.309365D+00
      5   0.923682D+01  0.290540D+01  0.299823D+01  0.317266D+01  0.107173D+02
      6   0.827481D+01  0.632047D+01 -0.116095D+01  0.683838D+01  0.831895D+01
                46            47            48            49            50 
      1  -0.286118D+02  0.221055D+02 -0.862346D+01  0.146600D+02  0.191550D+01
      2   0.705494D+01 -0.151784D+02  0.747119D+01 -0.122664D+02  0.907009D+01
      3   0.215568D+02 -0.692716D+01  0.115227D+01 -0.239368D+01 -0.109856D+02
      4   0.276060D+02 -0.717201D+01  0.688272D+01 -0.292383D+01 -0.136886D+02
      5  -0.546531D+01  0.669017D+00  0.868910D+01  0.119357D+00 -0.389546D+01
      6   0.564906D+01  0.129952D+01 -0.115148D+02  0.133817D+00  0.279112D+01
                51            52            53            54            55 
      1   0.150420D+01 -0.102725D+02  0.305317D+01  0.223657D+02  0.867832D+01
      2   0.465765D+01  0.736317D+01  0.474983D+01 -0.148693D+02 -0.381398D+01
      3  -0.616186D+01  0.290930D+01 -0.780300D+01 -0.749634D+01 -0.486434D+01
      4  -0.893212D+00  0.772296D+01  0.875378D+00  0.423002D+01  0.150018D+02
      5   0.105402D+02  0.779834D+01  0.119467D+02  0.889735D+01 -0.978887D+01
      6  -0.149542D+02 -0.831619D+01 -0.175515D+02 -0.122860D+02  0.122005D+02
                56            57            58            59            60 
      1   0.176502D+01 -0.307537D+01 -0.978675D+00 -0.197098D+02  0.550953D+01
      2   0.134181D+01  0.428126D+01  0.364326D+01  0.305321D+02 -0.105014D+02
      3  -0.310683D+01 -0.120589D+01 -0.266458D+01 -0.108224D+02  0.499184D+01
      4  -0.476790D+01  0.902990D+01  0.189463D+01  0.469294D+01 -0.113294D+01
      5   0.527863D+01 -0.380312D+01  0.178210D+01 -0.141515D+01  0.883725D+00
      6  -0.328277D+01  0.708749D+01 -0.314558D+01 -0.163703D+02  0.329062D+01
                61            62            63            64            65 
      1  -0.355804D+00  0.745144D+01 -0.633282D+01  0.226569D+02 -0.388958D+01
      2   0.430842D+01 -0.102986D+02 -0.899740D+01 -0.162274D+02  0.246546D+01
      3  -0.395262D+01  0.284716D+01  0.153302D+02 -0.642946D+01  0.142412D+01
      4   0.737848D+01  0.771678D+00  0.862501D+01 -0.884319D+01  0.123581D+02
      5  -0.172540D+01  0.355271D+01 -0.345272D+01 -0.168699D+02  0.652398D+01
      6   0.851500D+01  0.837679D+00 -0.146410D+02  0.343679D+01 -0.208647D+01
                66            67            68            69            70 
      1  -0.885917D+01 -0.685654D+01 -0.165215D+01  0.101550D+01 -0.101327D+02
      2   0.107332D+02  0.434921D+01  0.274669D+01 -0.491163D+01  0.100796D+02
      3  -0.187400D+01  0.250733D+01 -0.109453D+01  0.389613D+01  0.530915D-01
      4   0.556315D+01  0.116320D+02 -0.122773D+02 -0.793888D+01  0.634931D+01
      5   0.163880D+02  0.816059D+01 -0.797486D+01 -0.739352D+01  0.209713D+02
      6  -0.312842D+01 -0.366277D+01  0.436766D+01  0.972377D+01 -0.206071D+01
                71            72            73            74            75 
      1  -0.131303D+01 -0.382143D+01  0.540502D+00  0.438642D+00 -0.196911D+00
      2  -0.232419D+01 -0.215552D+02 -0.468432D+01 -0.926666D+00 -0.213665D+01
      3   0.363722D+01  0.253766D+02  0.414382D+01  0.488024D+00  0.233356D+01
      4  -0.118078D+02 -0.965710D+01  0.254626D+00  0.197307D+01  0.455672D+00
      5  -0.776131D+01 -0.296293D+02  0.241498D+01  0.145910D+01  0.684479D+01
      6   0.862569D+01  0.704322D+01  0.161412D+01  0.173300D+00  0.371185D+00
                76            77            78            79            80 
      1   0.263246D+00 -0.430549D+01 -0.451887D+01 -0.121199D+01 -0.287854D+01
      2  -0.850339D+00 -0.125132D+01 -0.368630D+01 -0.187344D+01 -0.451947D+01
      3   0.587093D+00  0.555681D+01  0.820517D+01  0.308543D+01  0.739801D+01
      4   0.216615D+01  0.390425D+00  0.466144D+00  0.191566D+00  0.920081D+00
      5   0.533629D+00  0.761718D+00  0.178234D+01  0.538218D+01  0.122449D+01
      6   0.406368D+00  0.380674D+01  0.729136D+01 -0.683984D-01  0.607645D+01
                81            82            83            84            85 
      1  -0.177631D+02  0.175922D+02  0.661353D+01 -0.102734D+02  0.602595D+01
      2  -0.171383D+02 -0.120414D+02 -0.475452D+01  0.802532D+01 -0.348844D+01
      3   0.349014D+02 -0.555085D+01 -0.185901D+01  0.224810D+01 -0.253751D+01
      4   0.378588D+00  0.982486D+01  0.866709D+01 -0.513252D+01  0.942102D+01
      5   0.606266D+01 -0.167596D+02 -0.552500D+01  0.155194D+02 -0.553174D+01
      6   0.380206D+01 -0.404978D+01 -0.257442D+01  0.321768D+01 -0.378983D+01
                86            87            88            89            90 
      1   0.295243D+01 -0.217067D+01 -0.812819D+01 -0.166382D+01  0.496642D+01
      2  -0.332337D+00  0.139890D+01  0.866589D+01  0.349507D+01 -0.118816D+02
      3  -0.262009D+01  0.771776D+00 -0.537700D+00 -0.183125D+01  0.691522D+01
      4   0.754268D+01 -0.675124D+01 -0.443984D+01 -0.613534D+01  0.763186D+01
      5  -0.719157D+01  0.821494D+01  0.163397D+02  0.811056D+01 -0.198489D+02
      6  -0.487663D+01  0.638094D+01  0.370732D+01  0.554310D+01 -0.645541D+01
                91            92            93            94            95 
      1   0.187165D+02  0.977373D+01 -0.602358D+01  0.382869D+01  0.222042D+01
      2  -0.516448D+01 -0.213462D+00  0.183939D+01  0.249334D+01  0.586646D+01
      3  -0.135520D+02 -0.956027D+01  0.418419D+01 -0.632203D+01 -0.808689D+01
      4   0.206564D+02  0.168296D+02 -0.653400D+01  0.124154D+02  0.144858D+02
      5  -0.725207D+01 -0.451607D+01  0.610279D+01 -0.272728D+01 -0.308377D+01
      6  -0.491748D+01 -0.316366D+01  0.338603D+01 -0.267156D+01 -0.361674D+01
                96            97            98            99           100 
      1  -0.611351D+00 -0.881718D+01 -0.426265D+01  0.335236D+01  0.303145D+01
      2  -0.147666D+01  0.232598D+01 -0.150777D+01 -0.911981D+00 -0.289309D-01
      3   0.208801D+01  0.649120D+01  0.577041D+01 -0.244038D+01 -0.300252D+01
      4  -0.452286D+01 -0.135392D+02 -0.127539D+02  0.858307D+01 -0.203379D+02
      5   0.298460D+01  0.880353D+01  0.655274D+01 -0.715412D+01  0.145920D+02
      6   0.347952D+01  0.646225D+01  0.662036D+01 -0.631878D+01 -0.143855D+02
               101           102           103           104           105 
      1   0.175033D+01 -0.710688D-01  0.879134D+00 -0.290382D+01  0.148535D+01
      2  -0.517934D+01 -0.139786D+01 -0.397659D+01  0.643646D+01 -0.236029D+01
      3   0.342901D+01  0.146893D+01  0.309745D+01 -0.353264D+01  0.874941D+00
      4   0.158207D+02 -0.119463D+02  0.118587D+02 -0.770187D+01  0.406503D+01
      5  -0.872902D+01  0.112690D+02 -0.481939D+01  0.436670D+01 -0.226153D+01
      6   0.995515D+01 -0.106938D+02  0.593570D+01 -0.642611D+01  0.587379D+01
               106           107           108           109           110 
      1  -0.435137D+00  0.272307D+01 -0.269493D+01 -0.128179D+01 -0.176865D+00
      2  -0.205655D+01 -0.185438D+01 -0.186848D+01  0.196046D+01 -0.267474D+01
      3   0.249169D+01 -0.868696D+00  0.456341D+01 -0.678669D+00  0.285160D+01
      4  -0.125339D+02  0.536230D+01 -0.793581D+01 -0.135979D+01  0.441120D+01
      5   0.112197D+02 -0.495119D+01  0.818194D+01 -0.330702D+00 -0.737552D+00
      6  -0.951348D+01  0.856683D+01 -0.961663D+01 -0.401298D+00 -0.218733D+01
               111           112           113           114           115 
      1   0.181106D+01 -0.542132D+00 -0.581820D+01 -0.139415D+01  0.349056D+00
      2  -0.219366D+01 -0.207817D+01  0.120519D+02  0.719304D+01 -0.256407D+01
      3   0.382602D+00  0.262030D+01 -0.623375D+01 -0.579889D+01  0.221501D+01
      4   0.124811D+00  0.490692D+01 -0.344663D+01 -0.288992D+01  0.339221D+01
      5   0.218295D+01 -0.610399D+00 -0.121350D+01 -0.100842D+01  0.823295D+00
      6   0.102644D+00 -0.226186D+01  0.452662D+01  0.957018D+01 -0.758905D+00
               116           117           118           119           120 
      1  -0.599542D+01 -0.307285D+01  0.239332D-01 -0.622897D+01 -0.442891D+01
      2   0.131159D+02  0.910771D+01  0.118476D+00  0.508728D+01  0.140565D+01
      3  -0.712051D+01 -0.603486D+01 -0.142409D+00  0.114169D+01  0.302326D+01
      4  -0.450855D+01 -0.180951D+01 -0.128019D+01  0.204066D+01  0.198922D+01
      5  -0.911201D+00 -0.212169D+01 -0.786810D+00  0.329145D+00  0.743572D+00
      6   0.764735D+01  0.145833D+02  0.332680D+01  0.292568D+01  0.548383D+01
               121           122           123           124           125 
      1  -0.319991D+01 -0.112183D+02 -0.852072D+01 -0.397326D+01 -0.112529D+02
      2   0.255442D+01  0.114495D+02  0.727198D+01  0.106785D+01  0.890240D+01
      3   0.645491D+00 -0.231287D+00  0.124874D+01  0.290541D+01  0.235049D+01
      4   0.326330D+01 -0.442542D+01 -0.434413D+01  0.471544D+01 -0.781600D+01
      5   0.101128D+01 -0.537195D+01 -0.695647D+01  0.304165D+01 -0.993168D+01
      6   0.110705D+01  0.125453D+02  0.157512D+02  0.214862D+01  0.189653D+02
               126           127           128           129           130 
      1  -0.194664D+02  0.510017D+02 -0.132284D+02  0.432730D+01 -0.605262D+01
      2   0.204950D+01 -0.191455D+02 -0.811114D+00 -0.198618D+01 -0.238568D+01
      3   0.174169D+02 -0.318561D+02  0.140395D+02 -0.234112D+01  0.843830D+01
      4  -0.591203D+01 -0.401799D+02  0.230118D+02 -0.300669D+01  0.163005D+02
      5  -0.181693D+02  0.426983D+00  0.533008D+00  0.782576D+01  0.301980D-01
      6   0.279000D+02 -0.193728D+01 -0.298102D+00 -0.419067D+01  0.229837D+00
               131           132           133           134           135 
      1   0.563829D+01 -0.185797D+00  0.608498D+01 -0.168701D+01  0.287342D+01
      2   0.228441D+01 -0.104024D+01 -0.229739D+01 -0.131217D+01 -0.122320D+01
      3  -0.792271D+01  0.122604D+01 -0.378760D+01  0.299917D+01 -0.165022D+01
      4  -0.107682D+02  0.163085D+01 -0.596530D+01  0.387569D+01 -0.514228D+01
      5   0.657488D+00 -0.216751D+01  0.767953D+01 -0.410257D+01  0.154898D+01
      6  -0.671270D+00  0.361914D+01 -0.337931D+01  0.466678D+01 -0.419716D+00
               136           137           138           139           140 
      1  -0.226797D+01 -0.933426D+01  0.537679D+01 -0.669711D+01 -0.124215D+02
      2   0.432510D+01  0.108266D+02 -0.440867D+01  0.714949D+01  0.176522D+02
      3  -0.205713D+01 -0.149235D+01 -0.968127D+00 -0.452381D+00 -0.523065D+01
      4   0.375385D+01  0.147685D+01 -0.352940D+01  0.392078D+01 -0.184223D+01
      5   0.143966D+01  0.783044D+00 -0.241888D+01  0.960994D+00  0.299873D+01
      6  -0.513501D+01 -0.398208D+01  0.730573D+01 -0.318349D+01 -0.841434D+01
               141           142           143           144           145 
      1   0.619906D+01  0.609184D+01  0.869911D+01 -0.121279D+02  0.213627D+01
      2  -0.881526D+01 -0.427191D+01 -0.122315D+02  0.808650D+01  0.825054D-01
      3   0.261620D+01 -0.181993D+01  0.353238D+01  0.404143D+01 -0.221878D+01
      4   0.211075D+00 -0.513492D+01  0.325258D+01  0.810288D-01  0.300266D+01
      5  -0.429660D+01 -0.119417D+01 -0.502332D+01  0.528257D+01  0.267760D+01
      6   0.101295D+02  0.531323D+01  0.117752D+02 -0.118562D+02  0.107650D+01
               146           147           148           149           150 
      1   0.309137D+01  0.306228D+01  0.352355D+01 -0.164733D+02 -0.366461D+01
      2  -0.164437D+01 -0.652791D+00 -0.147329D+01  0.295429D+02  0.157690D+01
      3  -0.144700D+01 -0.240949D+01 -0.205026D+01 -0.130696D+02  0.208771D+01
      4   0.485293D+01  0.511760D+00  0.747026D+01  0.293612D+02  0.623807D+01
      5   0.128428D+01  0.142957D+01  0.374824D+01  0.471797D+01  0.541643D+01
      6  -0.579969D+00 -0.249985D+00  0.160876D+01  0.204284D+02  0.979423D+01
               151           152           153           154           155 
      1   0.723794D+00 -0.320229D+01 -0.457571D+01 -0.349941D+01 -0.303402D+01
      2   0.251905D+00  0.142033D+01  0.270154D+01 -0.334331D+01 -0.342074D+00
      3  -0.975699D+00  0.178196D+01  0.187417D+01  0.684272D+01  0.337610D+01
      4   0.254430D+00  0.183083D+01  0.206188D+01 -0.223217D+01 -0.224435D+01
      5   0.129981D+01  0.249590D+01  0.309560D+00 -0.221850D+01 -0.187804D+01
      6  -0.356056D+00  0.808992D+01  0.279911D+01 -0.174320D+01 -0.380620D+01
               156           157           158           159           160 
      1   0.112459D+02 -0.389750D+01 -0.581162D+01  0.502752D+01  0.929068D+01
      2   0.328319D+01  0.918370D+00  0.213723D+01  0.387256D+01  0.122581D+01
      3  -0.145291D+02  0.297913D+01  0.367439D+01 -0.890007D+01 -0.105165D+02
      4   0.138723D+01 -0.102171D+01 -0.466473D+00  0.226630D+01  0.217734D+01
      5   0.156744D+00 -0.270241D+01  0.323244D+00 -0.371986D+01  0.391210D+01
      6   0.524256D+00 -0.239796D+01 -0.265488D+01  0.496201D+01  0.719939D+00
               161           162           163           164           165 
      1   0.374236D+01 -0.171253D+02  0.534797D+02 -0.414861D+01  0.146515D+02
      2   0.275572D+01 -0.109558D+02 -0.342251D+02  0.281686D+01 -0.134831D+02
      3  -0.649808D+01  0.280811D+02 -0.192546D+02  0.133176D+01 -0.116835D+01
      4   0.312591D+01 -0.359569D+01  0.384119D+01  0.802043D+01  0.195629D+01
      5  -0.756415D+00  0.520505D+01  0.339111D+02 -0.184415D+01  0.199054D+02
      6   0.514632D+01 -0.194100D+01 -0.453092D+00  0.394420D+01  0.108267D+01
               166           167           168           169           170 
      1  -0.840646D+01  0.404878D+01 -0.180963D+01  0.899562D+01  0.122638D+00
      2   0.564640D+01 -0.872411D+00  0.341222D+01 -0.947756D+01  0.112695D+01
      3   0.276006D+01 -0.317637D+01 -0.160259D+01  0.481939D+00 -0.124959D+01
      4   0.738939D+01 -0.584525D+00  0.276814D+01  0.106608D+01  0.143608D+01
      5  -0.599591D+01  0.411193D+01 -0.468272D+01  0.160928D+02 -0.203666D+01
      6   0.334941D+01 -0.348343D+00  0.235288D+01  0.443236D+00  0.195862D+01
               171 
      1   0.625418D+01
      2  -0.932387D+01
      3   0.306969D+01
      4  -0.612670D+00
      5   0.111250D+02
      6  -0.275699D+00
 Leave Link  716 at Thu Aug 12 21:42:53 2021, MaxMem=  5368709120 cpu:               0.5 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.821733D+02  0.502224D+00 -0.135627D+01
      2   0.502224D+00  0.835440D+02  0.171491D+01
      3  -0.135627D+01  0.171491D+01  0.750317D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.175509D+01 -0.269401D+01 -0.152091D+01
      2   0.145909D+02 -0.245919D+01  0.266384D+02
      3   0.119522D+02 -0.280548D+02  0.282233D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.793804D+02 -0.268126D+02  0.283856D+02
      2  -0.398084D+02  0.132341D+02 -0.232661D+02
      3  -0.395720D+02  0.135786D+02 -0.511946D+01
      4  -0.158345D+02  0.391204D+02  0.319859D+01
      5   0.197380D+02  0.284143D+01  0.428928D+02
      6   0.774425D+01 -0.161558D+02  0.882230D+01
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    57 ND12= 1 LenFil=    2055:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.630507D+01  0.226648D+01 -0.391030D+01  0.276395D+01  0.947227D+00
      2   0.226648D+01  0.118889D+01 -0.134002D-01  0.947227D+00 -0.673012D+01
      3  -0.391030D+01 -0.134002D-01  0.203386D+01  0.298246D+00 -0.906267D+00
                 6             7             8             9            10 
      1   0.298246D+00 -0.282700D+01  0.134318D+00  0.254814D+01  0.578595D+01
      2  -0.906267D+00  0.134318D+00  0.149181D-01  0.329170D+01 -0.355738D+01
      3   0.287624D+01  0.254814D+01  0.329170D+01  0.603580D+00  0.340437D+01
                11            12            13            14            15 
      1  -0.355738D+01  0.340437D+01 -0.461109D+01 -0.199406D+01  0.735620D+00
      2  -0.118778D+01  0.191634D+00 -0.199406D+01  0.408469D+01  0.121453D+01
      3   0.191634D+00 -0.291319D+01  0.735620D+00  0.121453D+01 -0.401540D+01
                16            17            18            19            20 
      1   0.556282D+01  0.232702D+00 -0.350860D+01 -0.583127D+01  0.465463D+01
      2   0.232702D+00  0.101081D+01 -0.461418D+01  0.465463D+01  0.161231D+01
      3  -0.350860D+01 -0.461418D+01 -0.911580D+00 -0.226950D+01 -0.881148D+00
                21            22            23            24            25 
      1  -0.226950D+01  0.258265D+01  0.123129D+01 -0.824444D-01 -0.335171D+01
      2  -0.881148D+00  0.123129D+01 -0.162573D+01  0.715268D+00 -0.132002D+01
      3   0.120691D+01 -0.824444D-01  0.715268D+00  0.308933D+01  0.161554D+01
                26            27            28            29            30 
      1  -0.132002D+01  0.161554D+01 -0.665289D-01 -0.230443D+01 -0.804220D-02
      2  -0.112497D+01  0.364763D+01 -0.230443D+01  0.184368D+00  0.130271D+01
      3   0.364763D+01  0.390821D+01 -0.804220D-02  0.130271D+01 -0.152046D+00
                31            32            33            34            35 
      1  -0.174916D+01 -0.448227D+00  0.187348D+01 -0.188960D+01  0.199891D+01
      2  -0.448227D+00 -0.670870D+00  0.638360D+00  0.199891D+01  0.669756D+00
      3   0.187348D+01  0.638360D+00 -0.299553D+01  0.587207D+00 -0.254502D+01
                36            37            38            39            40 
      1   0.587207D+00  0.276464D+01  0.560243D+00 -0.245106D+01  0.567713D-01
      2  -0.254502D+01  0.560243D+00  0.146437D+01 -0.128724D+01  0.517530D+00
      3  -0.267066D+01 -0.245106D+01 -0.128724D+01  0.102603D+01 -0.152063D+01
                41            42            43            44            45 
      1   0.517530D+00 -0.152063D+01 -0.375408D+01 -0.264855D+01  0.441329D+00
      2  -0.365959D+01 -0.199548D+01 -0.264855D+01 -0.369746D+01 -0.374063D+00
      3  -0.199548D+01  0.432608D+00  0.441329D+00 -0.374063D+00 -0.258280D+01
                46            47            48            49            50 
      1  -0.652412D+01  0.337419D+01 -0.218307D+01  0.220906D+01  0.200200D+01
      2   0.337419D+01  0.159236D+01  0.909952D-01  0.200200D+01 -0.309447D+01
      3  -0.218307D+01  0.909952D-01  0.288392D+01 -0.226885D+00 -0.486203D+00
                51            52            53            54            55 
      1  -0.226885D+00 -0.250948D+01 -0.507227D-02  0.247486D+01  0.441992D+01
      2  -0.486203D+00 -0.507227D-02  0.296361D-01  0.465455D+01 -0.207904D+01
      3   0.388065D+01  0.247486D+01  0.465455D+01  0.323337D+01  0.255099D+01
                56            57            58            59            60 
      1  -0.207904D+01  0.255099D+01 -0.110135D+01  0.531921D+00 -0.352092D+00
      2   0.154809D+01 -0.263473D+00  0.531921D+00  0.439280D+01 -0.168178D+01
      3  -0.263473D+00  0.169325D+01 -0.352092D+00 -0.168178D+01 -0.132722D+01
                61            62            63            64            65 
      1   0.268796D+01 -0.427379D+00  0.168636D+01 -0.371996D+01  0.183556D+01
      2  -0.427379D+00 -0.180233D+01 -0.848770D+00  0.183556D+01 -0.152982D+01
      3   0.168636D+01 -0.848770D+00 -0.342306D+01  0.300356D+01 -0.764712D+00
                66            67            68            69            70 
      1   0.300356D+01  0.269376D+01 -0.135317D+01 -0.102159D+01  0.440309D+01
      2  -0.764712D+00 -0.135317D+01  0.368300D+01  0.189205D+01 -0.635294D+00
      3  -0.167978D+01 -0.102159D+01  0.189205D+01  0.235371D+01 -0.272928D+01
                71            72            73            74            75 
      1  -0.635294D+00 -0.272928D+01  0.305029D+00 -0.889004D+00 -0.104546D+01
      2   0.274398D+01  0.222742D+01 -0.889004D+00 -0.182744D+00 -0.667495D-01
      3   0.222742D+01  0.753714D+01 -0.104546D+01 -0.667495D-01 -0.625961D+00
                76            77            78            79            80 
      1  -0.118688D+01 -0.275052D+00 -0.216698D+00 -0.107553D+01  0.510714D-01
      2  -0.275052D+00 -0.101154D+01 -0.164234D+01  0.510714D-01 -0.170504D+01
      3  -0.216698D+00 -0.164234D+01 -0.192812D+01 -0.103230D+01 -0.162863D+01
                81            82            83            84            85 
      1  -0.103230D+01  0.333253D+01  0.166944D+01 -0.266417D+01  0.230520D+01
      2  -0.162863D+01  0.166944D+01  0.163613D+01 -0.740963D+00  0.167979D+01
      3  -0.760093D+01 -0.266417D+01 -0.740963D+00  0.263131D+01 -0.858897D+00
                86            87            88            89            90 
      1   0.167979D+01 -0.858897D+00 -0.337943D+01 -0.724550D+00  0.280663D+01
      2   0.149760D+01 -0.154104D+01 -0.724550D+00 -0.175717D+01  0.190403D+01
      3  -0.154104D+01  0.195369D+01  0.280663D+01  0.190403D+01 -0.407723D+01
                91            92            93            94            95 
      1  -0.467450D+01 -0.307716D+01  0.143093D+01 -0.204490D+01 -0.200314D+01
      2  -0.307716D+01 -0.311432D+01  0.993540D+00 -0.200314D+01 -0.316761D+01
      3   0.143093D+01  0.993540D+00 -0.136022D+01  0.729267D+00  0.790102D+00
                96            97            98            99           100 
      1   0.729267D+00  0.301232D+01  0.222628D+01 -0.182693D+01 -0.480779D+01
      2   0.790102D+00  0.222628D+01  0.261648D+01 -0.149681D+01  0.303724D+01
      3  -0.916853D+00 -0.182693D+01 -0.149681D+01  0.161749D+01 -0.277958D+01
               101           102           103           104           105 
      1   0.303724D+01 -0.277958D+01  0.195814D+01 -0.152488D+01  0.769555D+00
      2  -0.252328D+01  0.147920D+01 -0.152488D+01  0.196249D+01 -0.867483D+00
      3   0.147920D+01 -0.208559D+01  0.769555D+00 -0.867483D+00  0.765521D+00
               106           107           108           109           110 
      1  -0.338906D+01  0.136769D+01 -0.204866D+01 -0.211423D+00  0.712875D+00
      2   0.136769D+01 -0.176479D+01  0.142219D+01  0.712875D+00 -0.410629D+00
      3  -0.204866D+01  0.142219D+01 -0.226431D+01  0.790823D-01 -0.479403D+00
               111           112           113           114           115 
      1   0.790823D-01  0.899029D+00 -0.409865D+00 -0.536520D+00  0.105413D+01
      2  -0.479403D+00 -0.409865D+00  0.244074D+01  0.105708D+01 -0.557741D+00
      3  -0.395777D-01 -0.536520D+00  0.105708D+01  0.190248D+01 -0.141379D+00
               116           117           118           119           120 
      1  -0.557741D+00 -0.141379D+00 -0.175067D+00 -0.871597D+00 -0.833664D+00
      2   0.280662D+01  0.168390D+01 -0.871597D+00 -0.977938D+00 -0.516762D+00
      3   0.168390D+01  0.354289D+01 -0.833664D+00 -0.516762D+00 -0.122395D+01
               121           122           123           124           125 
      1  -0.621506D+00 -0.357559D+00 -0.105740D+00 -0.109730D+01  0.789406D-01
      2  -0.357559D+00 -0.244735D+01 -0.212862D+01  0.789406D-01 -0.334335D+01
      3  -0.105740D+00 -0.212862D+01 -0.245507D+01 -0.608850D+00 -0.350448D+01
               126           127           128           129           130 
      1  -0.608850D+00  0.943420D+01 -0.350966D+01  0.891630D+00 -0.171647D+01
      2  -0.350448D+01 -0.350966D+01  0.269809D+01 -0.134293D+00  0.168453D+01
      3  -0.660093D+01  0.891630D+00 -0.134293D+00  0.104400D+01 -0.123906D+00
               131           132           133           134           135 
      1   0.168453D+01 -0.123906D+00  0.130286D+01 -0.501111D+00  0.101803D+01
      2  -0.124048D+01  0.224685D+00 -0.501111D+00  0.591497D+00 -0.982262D+00
      3   0.224685D+00 -0.541862D+00  0.101803D+01 -0.982262D+00  0.159073D+00
               136           137           138           139           140 
      1  -0.183035D+01 -0.117070D+01  0.132395D+01 -0.103666D+01 -0.100245D+01
      2  -0.117070D+01 -0.200287D+01  0.720214D+00 -0.100245D+01 -0.301680D+01
      3   0.132395D+01  0.720214D+00 -0.166436D+01  0.490853D+00  0.148249D+01
               141           142           143           144           145 
      1   0.490853D+00  0.154141D+01  0.495432D+00 -0.124988D+01  0.614930D+00
      2   0.148249D+01  0.495432D+00  0.272895D+01 -0.221458D+01  0.902042D+00
      3  -0.173755D+01 -0.124988D+01 -0.221458D+01  0.270281D+01  0.454814D+00
               146           147           148           149           150 
      1   0.902042D+00  0.454814D+00  0.131614D+01  0.308669D+00  0.476508D+00
      2  -0.141064D+00 -0.110072D-01  0.308669D+00  0.890451D+01  0.159945D+01
      3  -0.110072D-01 -0.357125D+00  0.476508D+00  0.159945D+01  0.168496D+01
               151           152           153           154           155 
      1   0.112473D+00  0.807357D-01 -0.326547D+00 -0.187036D+01 -0.858535D+00
      2   0.807357D-01  0.636158D+00  0.860543D+00 -0.858535D+00 -0.110379D+01
      3  -0.326547D+00  0.860543D+00  0.303714D+00  0.155711D+01  0.409294D+00
               156           157           158           159           160 
      1   0.155711D+01 -0.113082D+01 -0.680365D+00  0.268873D+00  0.155009D+01
      2   0.409294D+00 -0.680365D+00 -0.460903D+00  0.110229D+01  0.325313D+00
      3  -0.269274D+01  0.268873D+00  0.110229D+01 -0.209062D+01 -0.141626D+01
               161           162           163           164           165 
      1   0.325313D+00 -0.141626D+01  0.935925D+01 -0.695179D+00  0.344841D+01
      2   0.110033D+01 -0.102807D+01 -0.695179D+00  0.124963D+01 -0.284344D-01
      3  -0.102807D+01  0.499060D+01  0.344841D+01 -0.284344D-01  0.227525D+01
               166           167           168           169           170 
      1  -0.158586D+01  0.114584D+01 -0.596997D+00  0.204603D+01 -0.171670D+00
      2   0.114584D+01  0.159617D+00  0.532925D+00 -0.171670D+00  0.245968D+00
      3  -0.596997D+00  0.532925D+00 -0.930958D+00  0.171059D+01 -0.455111D+00
               171 
      1   0.171059D+01
      2  -0.455111D+00
      3   0.153261D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.619696D+01  0.165588D+01 -0.127942D+01  0.139501D+00 -0.108807D+02
      2   0.617717D+00 -0.240388D+01  0.136412D+02 -0.249318D+01 -0.321070D+01
      3  -0.896819D+01 -0.312547D+01 -0.346778D+01  0.214971D+01  0.133065D+02
                 6             7             8             9            10 
      1  -0.716377D+01 -0.139132D+01 -0.761749D+00  0.382354D+01  0.133396D+01
      2   0.529480D+01  0.737272D+01  0.630381D+01 -0.243642D+01  0.108717D+02
      3   0.199342D+01 -0.253039D+01 -0.544591D-01 -0.424074D+01  0.535031D+01
                11            12            13            14            15 
      1  -0.145562D+00 -0.400951D+00 -0.132584D+01 -0.389952D+00 -0.375608D+01
      2  -0.147465D+00  0.125299D+00 -0.345965D+01  0.105454D+01 -0.432130D+01
      3  -0.103339D+01 -0.196786D+01  0.588429D+01 -0.712910D+01  0.577198D+00
                16            17            18            19            20 
      1  -0.794408D+00  0.314865D+01  0.127910D+01 -0.311757D+01 -0.246610D+01
      2  -0.418758D+01 -0.475160D+01 -0.321736D+01 -0.578187D+01  0.983366D+00
      3   0.256713D+01  0.342364D+00  0.538259D+01 -0.215420D+00 -0.194421D+01
                21            22            23            24            25 
      1  -0.868868D+00 -0.118182D+01  0.360861D+01 -0.277711D+01  0.279021D+00
      2   0.130822D+01  0.188919D+01 -0.733168D+00  0.207782D+01 -0.102242D+02
      3   0.174093D+01  0.336838D+01 -0.134912D+01  0.140497D+01 -0.223219D+01
                26            27            28            29            30 
      1   0.348196D+01 -0.506900D+01  0.132781D+01  0.512043D+01  0.186952D+01
      2   0.688385D-01 -0.128556D+00 -0.100309D+02 -0.342407D+01  0.243921D+01
      3   0.719301D+00  0.769741D+00 -0.898135D+01 -0.430086D+01  0.524102D+00
                31            32            33            34            35 
      1   0.257794D+01 -0.564638D+01 -0.168996D+01  0.139490D+01  0.855622D+00
      2   0.244400D+01  0.254748D+01 -0.131474D+01 -0.449129D+01 -0.193625D+01
      3   0.275049D+01  0.459012D+01 -0.557327D+01 -0.515388D+01 -0.105935D+02
                36            37            38            39            40 
      1   0.384820D+01 -0.302544D+01 -0.102197D+01  0.657350D-02 -0.347623D+00
      2   0.114549D+02  0.495584D+01  0.365876D+01 -0.454894D-01 -0.140983D+01
      3  -0.473542D+00 -0.169460D+01  0.214858D+00  0.551862D+00  0.530180D+01
                41            42            43            44            45 
      1  -0.195993D-01 -0.465580D+01  0.328684D+01  0.390535D+01 -0.478773D+01
      2   0.269645D+01  0.926809D+00 -0.466490D+01  0.115235D+01  0.496794D+01
      3  -0.691382D+01 -0.167938D+01  0.192275D+01 -0.618735D+00 -0.300849D+01
                46            47            48            49            50 
      1  -0.533643D+01 -0.615850D+00  0.546803D+01 -0.111122D+01  0.959313D+00
      2  -0.656070D+01  0.904977D+00  0.594161D+01  0.329367D+00  0.103421D+00
      3   0.566960D+01 -0.137741D+02  0.377912D+01 -0.655531D+01  0.219133D+01
                51            52            53            54            55 
      1   0.597552D+01  0.349952D+01  0.125933D+02  0.497823D+01 -0.399533D+01
      2   0.648747D+01  0.117392D+01  0.818542D+01  0.613590D+01  0.525094D+01
      3   0.987245D+00  0.432634D+01  0.133590D+00 -0.132734D+02  0.936286D+01
                56            57            58            59            60 
      1  -0.249543D-01 -0.489455D+01 -0.861748D-01 -0.247554D+01  0.561542D+00
      2  -0.133410D+01  0.515530D+01 -0.112625D+00  0.175459D+01 -0.233724D+00
      3  -0.101952D+02  0.657510D+01  0.165853D+01  0.318482D+01 -0.909774D+00
                61            62            63            64            65 
      1  -0.494580D+01  0.977604D+01  0.955504D+01  0.505601D+00 -0.389166D+01
      2  -0.729880D-02  0.889963D+00  0.203126D+01  0.954547D-01  0.207570D+01
      3   0.439016D+01 -0.130214D+01  0.426145D+01  0.363521D+01 -0.520260D+01
                66            67            68            69            70 
      1   0.510936D+00 -0.894028D+00  0.357853D+01 -0.146476D+01 -0.422713D+00
      2   0.508474D+01  0.466191D+00 -0.477670D+01 -0.205189D+01 -0.213522D+01
      3  -0.132940D+01  0.167350D+01  0.494288D+01  0.476102D+01  0.458806D+01
                71            72            73            74            75 
      1   0.704030D+01  0.130530D+00  0.143524D+01  0.490828D+00  0.463302D+00
      2  -0.297878D+01 -0.139028D+02 -0.557583D-01 -0.717654D+00 -0.228763D+00
      3   0.798854D+01  0.284668D+01 -0.549227D-01 -0.117670D+01 -0.882721D+00
                76            77            78            79            80 
      1   0.291550D+00  0.254018D+01  0.128822D+01 -0.229898D-01  0.483064D+01
      2  -0.168454D+01 -0.530192D-01 -0.198463D+00 -0.293208D+01  0.357352D+00
      3   0.140032D+01 -0.505674D+00 -0.818405D+00  0.458955D+00 -0.598904D+00
                81            82            83            84            85 
      1   0.304230D+01 -0.593750D+00 -0.153799D+01 -0.352802D+00 -0.471610D+00
      2  -0.855677D-01 -0.122605D+01 -0.199906D-01  0.390976D+01  0.157688D+01
      3  -0.116890D+01 -0.161773D+01 -0.381691D+01  0.655118D+00  0.364448D+00
                86            87            88            89            90 
      1  -0.104345D+01 -0.828915D+00 -0.103751D+00  0.246423D+01 -0.134631D+00
      2  -0.111781D+01  0.294428D+01 -0.847430D+00  0.242882D+01 -0.460449D+01
      3  -0.257081D+01  0.192048D+01 -0.101582D+01  0.312803D+01 -0.195698D+01
                91            92            93            94            95 
      1   0.300768D+01  0.191133D+01 -0.279255D+01  0.214748D+01  0.225493D+01
      2  -0.266370D+01 -0.282117D+01  0.321619D+01 -0.168832D+01 -0.229899D+01
      3   0.184451D+01 -0.214685D+01 -0.674423D+00  0.828559D+00 -0.217346D+01
                96            97            98            99           100 
      1  -0.194978D+01 -0.292528D+01 -0.166407D+01  0.306824D+01  0.309875D+01
      2   0.232546D+01  0.271773D+01  0.284530D+01 -0.420022D+01 -0.535398D+01
      3   0.398791D+00 -0.103486D+01  0.224805D+01 -0.339993D+00 -0.104872D+02
               101           102           103           104           105 
      1   0.233738D-01  0.391438D+01 -0.231374D+00 -0.292338D+00 -0.146440D+01
      2   0.225656D+01 -0.570599D+00  0.186120D+01 -0.130004D+01  0.148383D+00
      3   0.412390D+01 -0.593121D+01  0.522050D+01 -0.218535D+01  0.146195D+01
               106           107           108           109           110 
      1   0.299288D+01 -0.179632D+00  0.268707D+01 -0.883494D+00  0.137522D+01
      2  -0.387495D+01  0.835615D+00 -0.917089D+00  0.464362D-01  0.482707D+00
      3  -0.781803D+01  0.193133D+01 -0.400786D+01 -0.232395D+00  0.136650D+00
               111           112           113           114           115 
      1   0.901977D+00  0.166059D+01 -0.481642D+01 -0.640607D+01  0.121939D+01
      2   0.310805D-01  0.499467D+00 -0.943439D+00 -0.118014D+01 -0.131678D+01
      3   0.623460D+00  0.217457D+01 -0.587363D+00 -0.629558D+00  0.350237D+01
               116           117           118           119           120 
      1  -0.547906D+01 -0.124772D+02 -0.835607D+00  0.202040D+00 -0.255502D+01
      2  -0.120580D+01 -0.145108D+01 -0.205812D+01 -0.106851D+01 -0.162109D+01
      3  -0.151651D+00 -0.102608D+00  0.290445D+01  0.233927D+01  0.217839D+01
               121           122           123           124           125 
      1  -0.195640D-01 -0.188249D+01 -0.505574D+01 -0.174175D+01 -0.169348D+01
      2  -0.113573D+01 -0.361985D+01 -0.395162D+01 -0.416209D+01 -0.516063D+01
      3   0.334837D+01  0.461173D+01  0.405741D+01  0.293689D+01  0.535213D+01
               126           127           128           129           130 
      1  -0.111671D+02  0.315909D+01 -0.886143D+00  0.278350D+01 -0.109220D+01
      2  -0.106517D+02  0.487100D+01 -0.126674D+01  0.489759D+01 -0.765042D+00
      3   0.770466D+01 -0.113477D+02 -0.203301D+01 -0.168933D+01  0.204973D+01
               131           132           133           134           135 
      1   0.850678D+00 -0.210520D+01  0.161981D+01 -0.861516D+00  0.853942D+00
      2   0.121902D+01 -0.160665D+01  0.128932D+01 -0.184825D+01  0.991930D+00
      3  -0.392820D+00 -0.219869D+00 -0.182847D+01 -0.698094D+00  0.562487D+00
               136           137           138           139           140 
      1   0.311339D+01  0.123620D+01 -0.421611D+01  0.156436D+01  0.324035D+01
      2   0.292153D+01  0.941263D+00 -0.152860D+01  0.124670D+01  0.220054D+01
      3   0.796028D+01  0.480792D+01 -0.427062D+01  0.594227D+01  0.669692D+01
               141           142           143           144           145 
      1  -0.538252D+01 -0.293729D+01 -0.287748D+01  0.652817D+01  0.728551D+00
      2  -0.226600D+01 -0.373527D+01 -0.332988D+01  0.359580D+01  0.101411D+01
      3  -0.415309D+01 -0.513206D+01 -0.513130D+01  0.667617D+01 -0.129139D+01
               146           147           148           149           150 
      1  -0.986014D+00  0.683736D+00 -0.111059D+01  0.119223D+02 -0.256857D+01
      2  -0.103677D+01 -0.659662D+00 -0.158194D+01  0.350638D+01  0.255147D+01
      3   0.641069D+00  0.123285D+00  0.402505D+01 -0.163835D+02 -0.169527D+01
               151           152           153           154           155 
      1   0.845735D+00  0.915848D+00  0.828308D+00 -0.264131D+01 -0.303881D+01
      2  -0.189648D+01  0.148889D+01  0.641705D+00  0.877055D+01  0.257139D+01
      3  -0.104473D+00 -0.662192D+00 -0.215449D+01  0.587351D+00  0.413063D+00
               156           157           158           159           160 
      1   0.200389D+01 -0.127346D+01 -0.190308D+01  0.163928D+01  0.195605D+01
      2  -0.642946D+01  0.298841D+01  0.310605D+01 -0.390966D+01 -0.765758D+01
      3   0.600782D+00  0.163524D+01  0.312984D-01 -0.155068D+01  0.315048D+00
               161           162           163           164           165 
      1   0.450363D+01 -0.472380D+01 -0.347811D+01  0.259974D+01 -0.124556D+01
      2  -0.286295D+01  0.110699D+02 -0.635563D+01  0.122981D+01  0.284399D+01
      3  -0.888916D+00  0.471154D+00  0.732822D+01 -0.570052D+01  0.199817D+01
               166           167           168           169           170 
      1   0.143553D+01 -0.469093D+00  0.293520D+00 -0.156072D+01  0.177456D+01
      2   0.102946D+01 -0.134749D+00 -0.172233D+01 -0.150174D+01 -0.725131D+00
      3  -0.213926D+01  0.878377D+00 -0.100500D+01  0.184247D+01 -0.114346D+01
               171 
      1  -0.140011D+01
      2   0.137780D+01
      3   0.205204D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.288720D+02  0.988151D+01 -0.240772D+02  0.123045D+02  0.119239D+02
      2   0.245522D+02 -0.340998D+01  0.504005D+01 -0.623469D+01 -0.180223D+02
      3   0.431982D+01 -0.647153D+01  0.190371D+02 -0.606978D+01  0.609842D+01
      4   0.391727D+01  0.549077D+01 -0.150328D+01  0.485834D+01 -0.211145D+02
      5  -0.255170D+02  0.527815D+01 -0.386706D+01  0.729498D+01 -0.131617D+01
      6   0.256523D+01  0.270589D+01  0.286301D-01  0.162946D+01 -0.114872D+02
                 6             7             8             9            10 
      1  -0.184741D+01 -0.189402D+02 -0.293267D+01  0.669526D+01  0.823265D+01
      2  -0.885255D+01  0.406501D+01 -0.670873D+01 -0.106471D+01 -0.287654D+01
      3   0.107000D+02  0.148752D+02  0.964140D+01 -0.563055D+01 -0.535611D+01
      4  -0.221743D+01 -0.652402D+00  0.341040D+00  0.120423D+02 -0.125528D+02
      5   0.779387D+01 -0.727510D+00  0.917948D+01  0.763955D+01  0.168446D+02
      6   0.924444D+00  0.192010D+01  0.606661D+00  0.823756D+01  0.572428D+01
                11            12            13            14            15 
      1  -0.127526D+02  0.137881D+02 -0.100046D+02 -0.236733D+01  0.280512D+01
      2   0.115109D+02 -0.823883D+01  0.107205D+02 -0.405842D+01 -0.138924D+01
      3   0.124166D+01 -0.554929D+01 -0.715850D+00  0.642575D+01 -0.141588D+01
      4  -0.257834D+01  0.243495D+01 -0.602475D+01  0.116440D+02  0.462468D+01
      5   0.300347D+01 -0.109269D+02  0.528357D+00  0.730930D+01 -0.127208D+02
      6  -0.848526D+00 -0.654464D+00  0.137079D+01 -0.168392D+01 -0.211962D+01
                16            17            18            19            20 
      1   0.113600D+02  0.133113D+01 -0.122747D+02 -0.108760D+02 -0.533534D+01
      2  -0.735421D+01 -0.240518D+01  0.942750D+01  0.806166D+01  0.699705D+01
      3  -0.400575D+01  0.107404D+01  0.284721D+01  0.281432D+01 -0.166171D+01
      4  -0.525135D+00  0.283294D+00 -0.133384D+02  0.161094D+01 -0.246174D+01
      5  -0.125969D+02 -0.138358D+02  0.159203D+01 -0.582873D+01 -0.701853D+00
      6  -0.291390D+01 -0.887323D-01  0.147492D+01 -0.763060D+01 -0.440437D+01
                21            22            23            24            25 
      1   0.314382D+01  0.223898D+01  0.835563D+01  0.317953D+01  0.881006D+00
      2   0.177068D+01 -0.102970D+00 -0.950400D+01  0.617583D+01  0.131324D+01
      3  -0.491450D+01 -0.213601D+01  0.114837D+01 -0.935535D+01 -0.219424D+01
      4  -0.311156D+00 -0.709815D+01 -0.107166D+01  0.109649D+01  0.406166D+01
      5   0.459132D+00  0.376726D+01 -0.116435D+01  0.975835D+00  0.177461D+01
      6   0.225257D+01  0.963916D+00  0.749821D+01 -0.612011D+01  0.207890D-01
                26            27            28            29            30 
      1   0.736210D+01  0.724699D+01 -0.111901D+01  0.288170D+01 -0.148777D+01
      2   0.304702D+01  0.113127D+02  0.152815D+01 -0.473003D+01 -0.638235D+01
      3  -0.104091D+02 -0.185597D+02 -0.409146D+00  0.184833D+01  0.787013D+01
      4   0.109729D+01 -0.142767D+01  0.316997D+01 -0.214273D+01 -0.712661D+01
      5  -0.145273D+01 -0.503620D+01  0.602918D+01 -0.643911D+01 -0.393606D+01
      6   0.200427D+01 -0.578677D+01 -0.254141D+01  0.460150D-01  0.820013D+00
                31            32            33            34            35 
      1   0.412460D+01  0.365696D+01 -0.572475D+01  0.836360D+01 -0.544778D+01
      2  -0.536102D+01 -0.846890D+01  0.885024D+01 -0.812643D+01 -0.435802D-01
      3   0.123642D+01  0.481193D+01 -0.312549D+01 -0.237164D+00  0.549136D+01
      4  -0.554921D+01 -0.252842D+01 -0.269442D+01 -0.116711D+02  0.463978D+01
      5  -0.147763D+02 -0.185715D+01  0.371000D+01 -0.971936D+01  0.502987D+01
      6  -0.319379D+01 -0.597421D+01 -0.123839D+01 -0.220347D+00 -0.278467D+01
                36            37            38            39            40 
      1   0.723275D-01  0.225652D-02  0.496954D+00  0.790172D+01 -0.154791D+01
      2   0.757035D+01 -0.914711D+00 -0.151616D+01 -0.206559D+01  0.141222D+01
      3  -0.764267D+01  0.912454D+00  0.101921D+01 -0.583613D+01  0.135692D+00
      4   0.610677D+01 -0.535135D+01 -0.420136D-01  0.104691D+02  0.729358D+01
      5   0.174941D+02  0.111251D+02  0.694389D+01  0.246757D+01  0.922647D+01
      6  -0.284702D+01  0.760134D+01  0.616413D+01 -0.123058D+01  0.621545D+01
                41            42            43            44            45 
      1  -0.137264D+02  0.257889D+01  0.110306D+02  0.500778D+01 -0.459258D+01
      2   0.241316D+02  0.910759D+00 -0.174114D+01  0.344903D+01 -0.487129D+00
      3  -0.104052D+02 -0.348965D+01 -0.928942D+01 -0.845681D+01  0.507971D+01
      4   0.123009D+02  0.866197D+01  0.171524D+02  0.152096D+02 -0.309365D+00
      5   0.923682D+01  0.290540D+01  0.299823D+01  0.317266D+01  0.107173D+02
      6   0.827481D+01  0.632047D+01 -0.116095D+01  0.683838D+01  0.831895D+01
                46            47            48            49            50 
      1  -0.286118D+02  0.221055D+02 -0.862346D+01  0.146600D+02  0.191550D+01
      2   0.705494D+01 -0.151784D+02  0.747119D+01 -0.122664D+02  0.907009D+01
      3   0.215568D+02 -0.692716D+01  0.115227D+01 -0.239368D+01 -0.109856D+02
      4   0.276060D+02 -0.717201D+01  0.688272D+01 -0.292383D+01 -0.136886D+02
      5  -0.546531D+01  0.669017D+00  0.868910D+01  0.119357D+00 -0.389546D+01
      6   0.564906D+01  0.129952D+01 -0.115148D+02  0.133817D+00  0.279112D+01
                51            52            53            54            55 
      1   0.150420D+01 -0.102725D+02  0.305317D+01  0.223657D+02  0.867832D+01
      2   0.465765D+01  0.736317D+01  0.474983D+01 -0.148693D+02 -0.381398D+01
      3  -0.616186D+01  0.290930D+01 -0.780300D+01 -0.749634D+01 -0.486434D+01
      4  -0.893212D+00  0.772296D+01  0.875378D+00  0.423002D+01  0.150018D+02
      5   0.105402D+02  0.779834D+01  0.119467D+02  0.889735D+01 -0.978887D+01
      6  -0.149542D+02 -0.831619D+01 -0.175515D+02 -0.122860D+02  0.122005D+02
                56            57            58            59            60 
      1   0.176502D+01 -0.307537D+01 -0.978675D+00 -0.197098D+02  0.550953D+01
      2   0.134181D+01  0.428126D+01  0.364326D+01  0.305321D+02 -0.105014D+02
      3  -0.310683D+01 -0.120589D+01 -0.266458D+01 -0.108224D+02  0.499184D+01
      4  -0.476790D+01  0.902990D+01  0.189463D+01  0.469294D+01 -0.113294D+01
      5   0.527863D+01 -0.380312D+01  0.178210D+01 -0.141515D+01  0.883725D+00
      6  -0.328277D+01  0.708749D+01 -0.314558D+01 -0.163703D+02  0.329062D+01
                61            62            63            64            65 
      1  -0.355804D+00  0.745144D+01 -0.633282D+01  0.226569D+02 -0.388958D+01
      2   0.430842D+01 -0.102986D+02 -0.899740D+01 -0.162274D+02  0.246546D+01
      3  -0.395262D+01  0.284716D+01  0.153302D+02 -0.642946D+01  0.142412D+01
      4   0.737848D+01  0.771678D+00  0.862501D+01 -0.884319D+01  0.123581D+02
      5  -0.172540D+01  0.355271D+01 -0.345272D+01 -0.168699D+02  0.652398D+01
      6   0.851500D+01  0.837679D+00 -0.146410D+02  0.343679D+01 -0.208647D+01
                66            67            68            69            70 
      1  -0.885917D+01 -0.685654D+01 -0.165215D+01  0.101550D+01 -0.101327D+02
      2   0.107332D+02  0.434921D+01  0.274669D+01 -0.491163D+01  0.100796D+02
      3  -0.187400D+01  0.250733D+01 -0.109453D+01  0.389613D+01  0.530915D-01
      4   0.556315D+01  0.116320D+02 -0.122773D+02 -0.793888D+01  0.634931D+01
      5   0.163880D+02  0.816059D+01 -0.797486D+01 -0.739352D+01  0.209713D+02
      6  -0.312842D+01 -0.366277D+01  0.436766D+01  0.972377D+01 -0.206071D+01
                71            72            73            74            75 
      1  -0.131303D+01 -0.382143D+01  0.540502D+00  0.438642D+00 -0.196911D+00
      2  -0.232419D+01 -0.215552D+02 -0.468432D+01 -0.926666D+00 -0.213665D+01
      3   0.363722D+01  0.253766D+02  0.414382D+01  0.488024D+00  0.233356D+01
      4  -0.118078D+02 -0.965710D+01  0.254626D+00  0.197307D+01  0.455672D+00
      5  -0.776131D+01 -0.296293D+02  0.241498D+01  0.145910D+01  0.684479D+01
      6   0.862569D+01  0.704322D+01  0.161412D+01  0.173300D+00  0.371185D+00
                76            77            78            79            80 
      1   0.263246D+00 -0.430549D+01 -0.451887D+01 -0.121199D+01 -0.287854D+01
      2  -0.850339D+00 -0.125132D+01 -0.368630D+01 -0.187344D+01 -0.451947D+01
      3   0.587093D+00  0.555681D+01  0.820517D+01  0.308543D+01  0.739801D+01
      4   0.216615D+01  0.390425D+00  0.466144D+00  0.191566D+00  0.920081D+00
      5   0.533629D+00  0.761718D+00  0.178234D+01  0.538218D+01  0.122449D+01
      6   0.406368D+00  0.380674D+01  0.729136D+01 -0.683984D-01  0.607645D+01
                81            82            83            84            85 
      1  -0.177631D+02  0.175922D+02  0.661353D+01 -0.102734D+02  0.602595D+01
      2  -0.171383D+02 -0.120414D+02 -0.475452D+01  0.802532D+01 -0.348844D+01
      3   0.349014D+02 -0.555085D+01 -0.185901D+01  0.224810D+01 -0.253751D+01
      4   0.378588D+00  0.982486D+01  0.866709D+01 -0.513252D+01  0.942102D+01
      5   0.606266D+01 -0.167596D+02 -0.552500D+01  0.155194D+02 -0.553174D+01
      6   0.380206D+01 -0.404978D+01 -0.257442D+01  0.321768D+01 -0.378983D+01
                86            87            88            89            90 
      1   0.295243D+01 -0.217067D+01 -0.812819D+01 -0.166382D+01  0.496642D+01
      2  -0.332337D+00  0.139890D+01  0.866589D+01  0.349507D+01 -0.118816D+02
      3  -0.262009D+01  0.771776D+00 -0.537700D+00 -0.183125D+01  0.691522D+01
      4   0.754268D+01 -0.675124D+01 -0.443984D+01 -0.613534D+01  0.763186D+01
      5  -0.719157D+01  0.821494D+01  0.163397D+02  0.811056D+01 -0.198489D+02
      6  -0.487663D+01  0.638094D+01  0.370732D+01  0.554310D+01 -0.645541D+01
                91            92            93            94            95 
      1   0.187165D+02  0.977373D+01 -0.602358D+01  0.382869D+01  0.222042D+01
      2  -0.516448D+01 -0.213462D+00  0.183939D+01  0.249334D+01  0.586646D+01
      3  -0.135520D+02 -0.956027D+01  0.418419D+01 -0.632203D+01 -0.808689D+01
      4   0.206564D+02  0.168296D+02 -0.653400D+01  0.124154D+02  0.144858D+02
      5  -0.725207D+01 -0.451607D+01  0.610279D+01 -0.272728D+01 -0.308377D+01
      6  -0.491748D+01 -0.316366D+01  0.338603D+01 -0.267156D+01 -0.361674D+01
                96            97            98            99           100 
      1  -0.611351D+00 -0.881718D+01 -0.426265D+01  0.335236D+01  0.303145D+01
      2  -0.147666D+01  0.232598D+01 -0.150777D+01 -0.911981D+00 -0.289309D-01
      3   0.208801D+01  0.649120D+01  0.577041D+01 -0.244038D+01 -0.300252D+01
      4  -0.452286D+01 -0.135392D+02 -0.127539D+02  0.858307D+01 -0.203379D+02
      5   0.298460D+01  0.880353D+01  0.655274D+01 -0.715412D+01  0.145920D+02
      6   0.347952D+01  0.646225D+01  0.662036D+01 -0.631878D+01 -0.143855D+02
               101           102           103           104           105 
      1   0.175033D+01 -0.710688D-01  0.879134D+00 -0.290382D+01  0.148535D+01
      2  -0.517934D+01 -0.139786D+01 -0.397659D+01  0.643646D+01 -0.236029D+01
      3   0.342901D+01  0.146893D+01  0.309745D+01 -0.353264D+01  0.874941D+00
      4   0.158207D+02 -0.119463D+02  0.118587D+02 -0.770187D+01  0.406503D+01
      5  -0.872902D+01  0.112690D+02 -0.481939D+01  0.436670D+01 -0.226153D+01
      6   0.995515D+01 -0.106938D+02  0.593570D+01 -0.642611D+01  0.587379D+01
               106           107           108           109           110 
      1  -0.435137D+00  0.272307D+01 -0.269493D+01 -0.128179D+01 -0.176865D+00
      2  -0.205655D+01 -0.185438D+01 -0.186848D+01  0.196046D+01 -0.267474D+01
      3   0.249169D+01 -0.868696D+00  0.456341D+01 -0.678669D+00  0.285160D+01
      4  -0.125339D+02  0.536230D+01 -0.793581D+01 -0.135979D+01  0.441120D+01
      5   0.112197D+02 -0.495119D+01  0.818194D+01 -0.330702D+00 -0.737552D+00
      6  -0.951348D+01  0.856683D+01 -0.961663D+01 -0.401298D+00 -0.218733D+01
               111           112           113           114           115 
      1   0.181106D+01 -0.542132D+00 -0.581820D+01 -0.139415D+01  0.349056D+00
      2  -0.219366D+01 -0.207817D+01  0.120519D+02  0.719304D+01 -0.256407D+01
      3   0.382602D+00  0.262030D+01 -0.623375D+01 -0.579889D+01  0.221501D+01
      4   0.124811D+00  0.490692D+01 -0.344663D+01 -0.288992D+01  0.339221D+01
      5   0.218295D+01 -0.610399D+00 -0.121350D+01 -0.100842D+01  0.823295D+00
      6   0.102644D+00 -0.226186D+01  0.452662D+01  0.957018D+01 -0.758905D+00
               116           117           118           119           120 
      1  -0.599542D+01 -0.307285D+01  0.239332D-01 -0.622897D+01 -0.442891D+01
      2   0.131159D+02  0.910771D+01  0.118476D+00  0.508728D+01  0.140565D+01
      3  -0.712051D+01 -0.603486D+01 -0.142409D+00  0.114169D+01  0.302326D+01
      4  -0.450855D+01 -0.180951D+01 -0.128019D+01  0.204066D+01  0.198922D+01
      5  -0.911201D+00 -0.212169D+01 -0.786810D+00  0.329145D+00  0.743572D+00
      6   0.764735D+01  0.145833D+02  0.332680D+01  0.292568D+01  0.548383D+01
               121           122           123           124           125 
      1  -0.319991D+01 -0.112183D+02 -0.852072D+01 -0.397326D+01 -0.112529D+02
      2   0.255442D+01  0.114495D+02  0.727198D+01  0.106785D+01  0.890240D+01
      3   0.645491D+00 -0.231287D+00  0.124874D+01  0.290541D+01  0.235049D+01
      4   0.326330D+01 -0.442542D+01 -0.434413D+01  0.471544D+01 -0.781600D+01
      5   0.101128D+01 -0.537195D+01 -0.695647D+01  0.304165D+01 -0.993168D+01
      6   0.110705D+01  0.125453D+02  0.157512D+02  0.214862D+01  0.189653D+02
               126           127           128           129           130 
      1  -0.194664D+02  0.510017D+02 -0.132284D+02  0.432730D+01 -0.605262D+01
      2   0.204950D+01 -0.191455D+02 -0.811114D+00 -0.198618D+01 -0.238568D+01
      3   0.174169D+02 -0.318561D+02  0.140395D+02 -0.234112D+01  0.843830D+01
      4  -0.591203D+01 -0.401799D+02  0.230118D+02 -0.300669D+01  0.163005D+02
      5  -0.181693D+02  0.426983D+00  0.533008D+00  0.782576D+01  0.301980D-01
      6   0.279000D+02 -0.193728D+01 -0.298102D+00 -0.419067D+01  0.229837D+00
               131           132           133           134           135 
      1   0.563829D+01 -0.185797D+00  0.608498D+01 -0.168701D+01  0.287342D+01
      2   0.228441D+01 -0.104024D+01 -0.229739D+01 -0.131217D+01 -0.122320D+01
      3  -0.792271D+01  0.122604D+01 -0.378760D+01  0.299917D+01 -0.165022D+01
      4  -0.107682D+02  0.163085D+01 -0.596530D+01  0.387569D+01 -0.514228D+01
      5   0.657488D+00 -0.216751D+01  0.767953D+01 -0.410257D+01  0.154898D+01
      6  -0.671270D+00  0.361914D+01 -0.337931D+01  0.466678D+01 -0.419716D+00
               136           137           138           139           140 
      1  -0.226797D+01 -0.933426D+01  0.537679D+01 -0.669711D+01 -0.124215D+02
      2   0.432510D+01  0.108266D+02 -0.440867D+01  0.714949D+01  0.176522D+02
      3  -0.205713D+01 -0.149235D+01 -0.968127D+00 -0.452381D+00 -0.523065D+01
      4   0.375385D+01  0.147685D+01 -0.352940D+01  0.392078D+01 -0.184223D+01
      5   0.143966D+01  0.783044D+00 -0.241888D+01  0.960994D+00  0.299873D+01
      6  -0.513501D+01 -0.398208D+01  0.730573D+01 -0.318349D+01 -0.841434D+01
               141           142           143           144           145 
      1   0.619906D+01  0.609184D+01  0.869911D+01 -0.121279D+02  0.213627D+01
      2  -0.881526D+01 -0.427191D+01 -0.122315D+02  0.808650D+01  0.825054D-01
      3   0.261620D+01 -0.181993D+01  0.353238D+01  0.404143D+01 -0.221878D+01
      4   0.211075D+00 -0.513492D+01  0.325258D+01  0.810288D-01  0.300266D+01
      5  -0.429660D+01 -0.119417D+01 -0.502332D+01  0.528257D+01  0.267760D+01
      6   0.101295D+02  0.531323D+01  0.117752D+02 -0.118562D+02  0.107650D+01
               146           147           148           149           150 
      1   0.309137D+01  0.306228D+01  0.352355D+01 -0.164733D+02 -0.366461D+01
      2  -0.164437D+01 -0.652791D+00 -0.147329D+01  0.295429D+02  0.157690D+01
      3  -0.144700D+01 -0.240949D+01 -0.205026D+01 -0.130696D+02  0.208771D+01
      4   0.485293D+01  0.511760D+00  0.747026D+01  0.293612D+02  0.623807D+01
      5   0.128428D+01  0.142957D+01  0.374824D+01  0.471797D+01  0.541643D+01
      6  -0.579969D+00 -0.249985D+00  0.160876D+01  0.204284D+02  0.979423D+01
               151           152           153           154           155 
      1   0.723794D+00 -0.320229D+01 -0.457571D+01 -0.349941D+01 -0.303402D+01
      2   0.251905D+00  0.142033D+01  0.270154D+01 -0.334331D+01 -0.342074D+00
      3  -0.975699D+00  0.178196D+01  0.187417D+01  0.684272D+01  0.337610D+01
      4   0.254430D+00  0.183083D+01  0.206188D+01 -0.223217D+01 -0.224435D+01
      5   0.129981D+01  0.249590D+01  0.309560D+00 -0.221850D+01 -0.187804D+01
      6  -0.356056D+00  0.808992D+01  0.279911D+01 -0.174320D+01 -0.380620D+01
               156           157           158           159           160 
      1   0.112459D+02 -0.389750D+01 -0.581162D+01  0.502752D+01  0.929068D+01
      2   0.328319D+01  0.918370D+00  0.213723D+01  0.387256D+01  0.122581D+01
      3  -0.145291D+02  0.297913D+01  0.367439D+01 -0.890007D+01 -0.105165D+02
      4   0.138723D+01 -0.102171D+01 -0.466473D+00  0.226630D+01  0.217734D+01
      5   0.156744D+00 -0.270241D+01  0.323244D+00 -0.371986D+01  0.391210D+01
      6   0.524256D+00 -0.239796D+01 -0.265488D+01  0.496201D+01  0.719939D+00
               161           162           163           164           165 
      1   0.374236D+01 -0.171253D+02  0.534797D+02 -0.414861D+01  0.146515D+02
      2   0.275572D+01 -0.109558D+02 -0.342251D+02  0.281686D+01 -0.134831D+02
      3  -0.649808D+01  0.280811D+02 -0.192546D+02  0.133176D+01 -0.116835D+01
      4   0.312591D+01 -0.359569D+01  0.384119D+01  0.802043D+01  0.195629D+01
      5  -0.756415D+00  0.520505D+01  0.339111D+02 -0.184415D+01  0.199054D+02
      6   0.514632D+01 -0.194100D+01 -0.453092D+00  0.394420D+01  0.108267D+01
               166           167           168           169           170 
      1  -0.840646D+01  0.404878D+01 -0.180963D+01  0.899562D+01  0.122638D+00
      2   0.564640D+01 -0.872411D+00  0.341222D+01 -0.947756D+01  0.112695D+01
      3   0.276006D+01 -0.317637D+01 -0.160259D+01  0.481939D+00 -0.124959D+01
      4   0.738939D+01 -0.584525D+00  0.276814D+01  0.106608D+01  0.143608D+01
      5  -0.599591D+01  0.411193D+01 -0.468272D+01  0.160928D+02 -0.203666D+01
      6   0.334941D+01 -0.348343D+00  0.235288D+01  0.443236D+00  0.195862D+01
               171 
      1   0.625418D+01
      2  -0.932387D+01
      3   0.306969D+01
      4  -0.612670D+00
      5   0.111250D+02
      6  -0.275699D+00

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.541186D+00      0.137556D+01      0.458837D+01
   x         -0.109650D+00     -0.278702D+00     -0.929648D+00
   y         -0.457292D+00     -0.116232D+01     -0.387708D+01
   z         -0.267850D+00     -0.680806D+00     -0.227092D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.745016D+02      0.110400D+02      0.122837D+02
   aniso      0.874870D+01      0.129642D+01      0.144247D+01
   xx         0.762568D+02      0.113001D+02      0.125730D+02
   yx         0.346321D+00      0.513194D-01      0.571006D-01
   yy         0.779479D+02      0.115507D+02      0.128519D+02
   zx        -0.836962D+00     -0.124025D+00     -0.137996D+00
   zy         0.191988D+01      0.284497D+00      0.316546D+00
   zz         0.693001D+02      0.102692D+02      0.114260D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.802497D+02      0.118918D+02      0.132314D+02
   aniso      0.881862D+01      0.130678D+01      0.145399D+01
   xx         0.821733D+02      0.121768D+02      0.135486D+02
   yx         0.502224D+00      0.744219D-01      0.828056D-01
   yy         0.835440D+02      0.123799D+02      0.137745D+02
   zx        -0.135627D+01     -0.200979D+00     -0.223619D+00
   zy         0.171491D+01      0.254124D+00      0.282751D+00
   zz         0.750317D+02      0.111186D+02      0.123711D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6          2.46198459          1.55153967         -2.59925220
     6          2.50851882         -0.15917674         -0.27289861
     6          0.00329269         -1.63251163          0.10092582
     6         -2.19068596          0.16063754          0.61910387
     8         -2.49562424          0.65201829          3.10915244
     6          3.29311304          1.30847957          2.08713192
     7         -0.48322095         -3.26558812         -2.06158702
     8         -3.53441491          1.07528940         -0.97476283
     1          0.23863234         -2.82160049          1.76885208
     1          3.90049359         -1.64920369         -0.60709623
     1         -3.88994040          1.83523985          3.25791193
     1         -1.85254447         -4.53535317         -1.63761635
     1         -1.15597001         -2.21939862         -3.52004944
     1          3.29399582          0.10845228          3.76474714
     1          5.19447232          2.06873217          1.84427650
     1          2.02893407          2.89589396          2.45584364
     1          2.05765159          0.49057432         -4.31837194
     1          1.04822876          3.04277518         -2.41637721
     1          4.30156265          2.45073838         -2.84619311

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.541186D+00      0.137556D+01      0.458837D+01
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.541186D+00      0.137556D+01      0.458837D+01

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.745016D+02      0.110400D+02      0.122837D+02
   aniso      0.874870D+01      0.129642D+01      0.144247D+01
   xx         0.763352D+02      0.113117D+02      0.125860D+02
   yx         0.460727D+00      0.682727D-01      0.759636D-01
   yy         0.698529D+02      0.103511D+02      0.115172D+02
   zx        -0.450909D-02     -0.668178D-03     -0.743448D-03
   zy         0.297530D+01      0.440894D+00      0.490560D+00
   zz         0.773167D+02      0.114572D+02      0.127478D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.802497D+02      0.118918D+02      0.132314D+02
   aniso      0.881862D+01      0.130678D+01      0.145399D+01
   xx         0.824004D+02      0.122105D+02      0.135860D+02
   yx        -0.246099D-01     -0.364681D-02     -0.405763D-02
   yy         0.756118D+02      0.112045D+02      0.124667D+02
   zx         0.337537D-02      0.500178D-03      0.556523D-03
   zy         0.312427D+01      0.462970D+00      0.515123D+00
   zz         0.827369D+02      0.122603D+02      0.136415D+02

 ----------------------------------------------------------------------
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 IT IS A CAPITAL MISTAKE TO THEORIZE BEFORE ONE HAS
 DATA.  INSENSIBLY ONE BEGINS TO TWIST FACTS TO SUIT
 THEORIES RATHER THAN THEORIES TO SUIT FACTS.

                                         -- SHERLOCK HOLMES
 Job cpu time:       0 days  5 hours 56 minutes 46.3 seconds.
 Elapsed time:       0 days  0 hours 44 minutes 41.4 seconds.
 File lengths (MBytes):  RWF=    240 Int=      0 D2E=      0 Chk=      8 Scr=      2
 Normal termination of Gaussian 16 at Thu Aug 12 21:42:54 2021.
